4-(((4-((4-(Bis(2-chloroethyl)amino)benzoyl)amino)-1-methyl-1H-imidazol-2-yl)carbonyl)amino)-N-(2-(((2-(dimethylamino)ethyl)amino)carbonyl)-1-methyl-1H-imidazol-4-yl)-1-methyl-1H-imidazole-2-carboxamide
TL;DR: 4-(((4-((4-(Bis(2-chloroethyl)amino)benzoyl)amino)-1-methyl-1H-imidazol-2-yl)carbonyl)amino)-N-(2-(((2-(dimethylamino)ethyl)amino)carbonyl)-1-methyl-1H-imidazol-4-yl)-1-methyl-1H-imidazole-2-carboxamide (CAS 147056-67-5) is a chemical compound with molecular formula C30H38Cl2N12O4 and molecular weight 700.2516 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-[[4-[bis(2-chloroethyl)amino]benzoyl]amino]-N-[2-[[2-[2-(dimethylamino)ethylcarbamoyl]-1-methylimidazol-4-yl]carbamoyl]-1-methylimidazol-4-yl]-1-methylimidazole-2-carboxamide
Also Known As: 4-(((4-((4-(Bis(2-chloroethyl)amino)benzoyl)amino)-1-methyl-1H-imidazol-2-yl)carbonyl)amino)-N-(2-(((2-(dimethylamino)ethyl)amino)carbonyl)-1-methyl-1H-imidazol-4-yl)-1-methyl-1H-imidazole-2-carboxamide, 1H-Imidazole-2-carboxamide,4-[[[4-[[4-[bis(2-chloroethyl)amino]benzoyl]amino]-1-methyl-1H-imidazol-2-yl]carbonyl]amino]-N-[2-[[[2-(dimethylamino)ethyl]amino]carbonyl]-1-methyl-1H-imidazol-4-yl]-1-methyl-, 4-[[4-[bis(2-chloroethyl)amino]benzoyl]amino]-N-[2-[[2-[2-(dimethylamino)ethylcarbamoyl]-1-methylimidazol-4-yl]carbamoyl]-1-methylimidazol-4-yl]-1-methylimidazole-2-carboxamide, 1-Methyl-4-[[[4-[[[4-[[4-[bis(2-chloroethyl)amino]benzoyl]amino]-1-methyl-1H-imidazol-2-yl]carbonyl]amino]-1-methyl-1H-imidazol-2-yl]carbonyl]amino]-N-[2-(dimethylamino)ethyl]-1H-imidazole-2-carboxamide, 4-[[4-[bis(2-chloroethyl)amino]benzoyl]amino]-N-[2-[[2-(2-dimethylaminoethylcarbamoyl)-1-methylimidazol-4-yl]carbamoyl]-1-methylimidazol-4-yl]-1-methylimidazole-2-carboxamide
Technical Specifications
| Molecular Formula | C30H38Cl2N12O4 |
| Molecular Weight | 700.2516 g/mol |
| XLogP | 1.3 |
| Topological Polar Surface Area (TPSA) | 176.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 15 |
| Exact Mass | 700.2516 Da |
| Heavy Atoms | 48 |
| Complexity | 1090.0 |
| SMILES | CN1C=C(N=C1C(=O)NC2=CN(C(=N2)C(=O)NC3=CN(C(=N3)C(=O)NCCN(C)C)C)C)NC(=O)C4=CC=C(C=C4)N(CCCl)CCCl |
| InChIKey | QTDSAAJVUBUGHT-UHFFFAOYSA-N |
Chemical Property Profile of 4-(((4-((4-(Bis(2-chloroethyl)amino)benzoyl)amino)-1-methyl-1H-imidazol-2-yl)carbonyl)amino)-N-(2-(((2-(dimethylamino)ethyl)amino)carbonyl)-1-methyl-1H-imidazol-4-yl)-1-methyl-1H-imidazole-2-carboxamide
Property Insights of 4-(((4-((4-(Bis(2-chloroethyl)amino)benzoyl)amino)-1-methyl-1H-imidazol-2-yl)carbonyl)amino)-N-(2-(((2-(dimethylamino)ethyl)amino)carbonyl)-1-methyl-1H-imidazol-4-yl)-1-methyl-1H-imidazole-2-carboxamide
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(((4-((4-(Bis(2-chloroethyl)amino)benzoyl)amino)-1-methyl-1H-imidazol-2-yl)carbonyl)amino)-N-(2-(((2-(dimethylamino)ethyl)amino)carbonyl)-1-methyl-1H-imidazol-4-yl)-1-methyl-1H-imidazole-2-carboxamide. The TPSA of 176.0 Ų indicates high polarity, suggesting 4-(((4-((4-(Bis(2-chloroethyl)amino)benzoyl)amino)-1-methyl-1H-imidazol-2-yl)carbonyl)amino)-N-(2-(((2-(dimethylamino)ethyl)amino)carbonyl)-1-methyl-1H-imidazol-4-yl)-1-methyl-1H-imidazole-2-carboxamide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 4-(((4-((4-(Bis(2-chloroethyl)amino)benzoyl)amino)-1-methyl-1H-imidazol-2-yl)carbonyl)amino)-N-(2-(((2-(dimethylamino)ethyl)amino)carbonyl)-1-methyl-1H-imidazol-4-yl)-1-methyl-1H-imidazole-2-carboxamide has 4 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of 4-(((4-((4-(Bis(2-chloroethyl)amino)benzoyl)amino)-1-methyl-1H-imidazol-2-yl)carbonyl)amino)-N-(2-(((2-(dimethylamino)ethyl)amino)carbonyl)-1-methyl-1H-imidazol-4-yl)-1-methyl-1H-imidazole-2-carboxamide?
The CAS number of 4-(((4-((4-(Bis(2-chloroethyl)amino)benzoyl)amino)-1-methyl-1H-imidazol-2-yl)carbonyl)amino)-N-(2-(((2-(dimethylamino)ethyl)amino)carbonyl)-1-methyl-1H-imidazol-4-yl)-1-methyl-1H-imidazole-2-carboxamide is 147056-67-5.
What is the molecular formula of 4-(((4-((4-(Bis(2-chloroethyl)amino)benzoyl)amino)-1-methyl-1H-imidazol-2-yl)carbonyl)amino)-N-(2-(((2-(dimethylamino)ethyl)amino)carbonyl)-1-methyl-1H-imidazol-4-yl)-1-methyl-1H-imidazole-2-carboxamide?
The molecular formula of 4-(((4-((4-(Bis(2-chloroethyl)amino)benzoyl)amino)-1-methyl-1H-imidazol-2-yl)carbonyl)amino)-N-(2-(((2-(dimethylamino)ethyl)amino)carbonyl)-1-methyl-1H-imidazol-4-yl)-1-methyl-1H-imidazole-2-carboxamide is C30H38Cl2N12O4.
What is the molecular weight of 4-(((4-((4-(Bis(2-chloroethyl)amino)benzoyl)amino)-1-methyl-1H-imidazol-2-yl)carbonyl)amino)-N-(2-(((2-(dimethylamino)ethyl)amino)carbonyl)-1-methyl-1H-imidazol-4-yl)-1-methyl-1H-imidazole-2-carboxamide?
The molecular weight of 4-(((4-((4-(Bis(2-chloroethyl)amino)benzoyl)amino)-1-methyl-1H-imidazol-2-yl)carbonyl)amino)-N-(2-(((2-(dimethylamino)ethyl)amino)carbonyl)-1-methyl-1H-imidazol-4-yl)-1-methyl-1H-imidazole-2-carboxamide is 700.2516 g/mol.
Where can I buy 4-(((4-((4-(Bis(2-chloroethyl)amino)benzoyl)amino)-1-methyl-1H-imidazol-2-yl)carbonyl)amino)-N-(2-(((2-(dimethylamino)ethyl)amino)carbonyl)-1-methyl-1H-imidazol-4-yl)-1-methyl-1H-imidazole-2-carboxamide?
You can request a quote for 4-(((4-((4-(Bis(2-chloroethyl)amino)benzoyl)amino)-1-methyl-1H-imidazol-2-yl)carbonyl)amino)-N-(2-(((2-(dimethylamino)ethyl)amino)carbonyl)-1-methyl-1H-imidazol-4-yl)-1-methyl-1H-imidazole-2-carboxamide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-(((4-((4-(Bis(2-chloroethyl)amino)benzoyl)amino)-1-methyl-1H-imidazol-2-yl)carbonyl)amino)-N-(2-(((2-(dimethylamino)ethyl)amino)carbonyl)-1-methyl-1H-imidazol-4-yl)-1-methyl-1H-imidazole-2-carboxamide?
Yes, CoreyChem provides custom synthesis services for 4-(((4-((4-(Bis(2-chloroethyl)amino)benzoyl)amino)-1-methyl-1H-imidazol-2-yl)carbonyl)amino)-N-(2-(((2-(dimethylamino)ethyl)amino)carbonyl)-1-methyl-1H-imidazol-4-yl)-1-methyl-1H-imidazole-2-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.