Benzoic acid, 4-(4-ethylidene-4,5-dihydro-2-methyl-5-oxo-1H-imidazol-1-yl)-
TL;DR: Benzoic acid, 4-(4-ethylidene-4,5-dihydro-2-methyl-5-oxo-1H-imidazol-1-yl)- (CAS 100037-27-2) is a chemical compound with molecular formula C13H12N2O3 and molecular weight 244.0848 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-[(4E)-4-ethylidene-2-methyl-5-oxoimidazol-1-yl]benzoic acid
Also Known As: p-(4-Ethylidene-2-methyl-5-oxo-2-imidazolin-1-yl)benzoic acid, Benzoic acid, 4-(4-ethylidene-4,5-dihydro-2-methyl-5-oxo-1H-imidazol-1-yl)-, Benzoic acid, p-(4-ethylidene-2-methyl-5-oxo-2-imidazolin-1-yl)-, 4-[(4E)-4-ethylidene-2-methyl-5-oxoimidazol-1-yl]benzoic acid, Benzoic acid, 4-(4-ethylidene-4,5-dihydro-2-methyl-5-oxo-1H-imidazol-1-yl)- (9CI)
Technical Specifications
| Molecular Formula | C13H12N2O3 |
| Molecular Weight | 244.0848 g/mol |
| XLogP | 1.3 |
| Topological Polar Surface Area (TPSA) | 70.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 244.0848 Da |
| Heavy Atoms | 18 |
| Complexity | 432.0 |
| SMILES | C/C=C/1\C(=O)N(C(=N1)C)C2=CC=C(C=C2)C(=O)O |
| InChIKey | DZPMAFTUDOEPQE-QDEBKDIKSA-N |
Chemical Property Profile of Benzoic acid, 4-(4-ethylidene-4,5-dihydro-2-methyl-5-oxo-1H-imidazol-1-yl)-
Property Insights of Benzoic acid, 4-(4-ethylidene-4,5-dihydro-2-methyl-5-oxo-1H-imidazol-1-yl)-
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzoic acid, 4-(4-ethylidene-4,5-dihydro-2-methyl-5-oxo-1H-imidazol-1-yl)-. The TPSA of 70.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzoic acid, 4-(4-ethylidene-4,5-dihydro-2-methyl-5-oxo-1H-imidazol-1-yl)-. Following Lipinski's Rule of Five, Benzoic acid, 4-(4-ethylidene-4,5-dihydro-2-methyl-5-oxo-1H-imidazol-1-yl)- has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Benzoic acid, 4-(4-ethylidene-4,5-dihydro-2-methyl-5-oxo-1H-imidazol-1-yl)-?
The CAS number of Benzoic acid, 4-(4-ethylidene-4,5-dihydro-2-methyl-5-oxo-1H-imidazol-1-yl)- is 100037-27-2.
What is the molecular formula of Benzoic acid, 4-(4-ethylidene-4,5-dihydro-2-methyl-5-oxo-1H-imidazol-1-yl)-?
The molecular formula of Benzoic acid, 4-(4-ethylidene-4,5-dihydro-2-methyl-5-oxo-1H-imidazol-1-yl)- is C13H12N2O3.
What is the molecular weight of Benzoic acid, 4-(4-ethylidene-4,5-dihydro-2-methyl-5-oxo-1H-imidazol-1-yl)-?
The molecular weight of Benzoic acid, 4-(4-ethylidene-4,5-dihydro-2-methyl-5-oxo-1H-imidazol-1-yl)- is 244.0848 g/mol.
Where can I buy Benzoic acid, 4-(4-ethylidene-4,5-dihydro-2-methyl-5-oxo-1H-imidazol-1-yl)-?
You can request a quote for Benzoic acid, 4-(4-ethylidene-4,5-dihydro-2-methyl-5-oxo-1H-imidazol-1-yl)- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Benzoic acid, 4-(4-ethylidene-4,5-dihydro-2-methyl-5-oxo-1H-imidazol-1-yl)-?
Yes, CoreyChem provides custom synthesis services for Benzoic acid, 4-(4-ethylidene-4,5-dihydro-2-methyl-5-oxo-1H-imidazol-1-yl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.