2-Methyl-5,7-dinitro-6-(4-phenylpiperazin-1-yl)-1H-benzimidazole
TL;DR: 2-Methyl-5,7-dinitro-6-(4-phenylpiperazin-1-yl)-1H-benzimidazole (CAS 72766-24-6) is a chemical compound with molecular formula C18H18N6O4 and molecular weight 382.13895 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-methyl-4,6-dinitro-5-(4-phenylpiperazin-1-yl)-1H-benzimidazole
Also Known As: 4,6-Dinitro-2-methyl-benzimidazol, 2-methyl-4,6-dinitro-5-(4-phenylpiperazin-1-yl)-1h-benzimidazole, 1H-Benzimidazole,2-methyl-4,6-dinitro, 1H-Benzimidazole, 4,6-dinitro-2-methyl-5-(4-phenyl-1-piperazinyl)-, 2-Methyl-5,7-dinitro-6-(4-phenylpiperazin-1-yl)-1H-benzimidazole
Technical Specifications
| Molecular Formula | C18H18N6O4 |
| Molecular Weight | 382.13895 g/mol |
| XLogP | 3.3 |
| Topological Polar Surface Area (TPSA) | 127.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 382.13895 Da |
| Heavy Atoms | 28 |
| Complexity | 582.0 |
| SMILES | CC1=NC2=C(C(=C(C=C2N1)[N+](=O)[O-])N3CCN(CC3)C4=CC=CC=C4)[N+](=O)[O-] |
| InChIKey | NLRFOKSZBNXTLK-UHFFFAOYSA-N |
Chemical Property Profile of 2-Methyl-5,7-dinitro-6-(4-phenylpiperazin-1-yl)-1H-benzimidazole
Property Insights of 2-Methyl-5,7-dinitro-6-(4-phenylpiperazin-1-yl)-1H-benzimidazole
The XLogP value of 3.3 indicates that 2-Methyl-5,7-dinitro-6-(4-phenylpiperazin-1-yl)-1H-benzimidazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 127.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Methyl-5,7-dinitro-6-(4-phenylpiperazin-1-yl)-1H-benzimidazole. Following Lipinski's Rule of Five, 2-Methyl-5,7-dinitro-6-(4-phenylpiperazin-1-yl)-1H-benzimidazole has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 2-Methyl-5,7-dinitro-6-(4-phenylpiperazin-1-yl)-1H-benzimidazole?
The CAS number of 2-Methyl-5,7-dinitro-6-(4-phenylpiperazin-1-yl)-1H-benzimidazole is 72766-24-6.
What is the molecular formula of 2-Methyl-5,7-dinitro-6-(4-phenylpiperazin-1-yl)-1H-benzimidazole?
The molecular formula of 2-Methyl-5,7-dinitro-6-(4-phenylpiperazin-1-yl)-1H-benzimidazole is C18H18N6O4.
What is the molecular weight of 2-Methyl-5,7-dinitro-6-(4-phenylpiperazin-1-yl)-1H-benzimidazole?
The molecular weight of 2-Methyl-5,7-dinitro-6-(4-phenylpiperazin-1-yl)-1H-benzimidazole is 382.13895 g/mol.
Where can I buy 2-Methyl-5,7-dinitro-6-(4-phenylpiperazin-1-yl)-1H-benzimidazole?
You can request a quote for 2-Methyl-5,7-dinitro-6-(4-phenylpiperazin-1-yl)-1H-benzimidazole directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Methyl-5,7-dinitro-6-(4-phenylpiperazin-1-yl)-1H-benzimidazole?
Yes, CoreyChem provides custom synthesis services for 2-Methyl-5,7-dinitro-6-(4-phenylpiperazin-1-yl)-1H-benzimidazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.