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2-[(4-Aminophenyl)methyl]-1H-benzimidazole-6-carboxylic acid
TL;DR: 2-[(4-Aminophenyl)methyl]-1H-benzimidazole-6-carboxylic acid (CAS 208118-15-4) is a chemical compound with molecular formula C15H13N3O2 and molecular weight 267.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-aminophenyl)methyl]-3H-benzimidazole-5-carboxylic acid
Also Known As: ChemDiv2_001529, BAS 06347435, 2-[(4-Aminophenyl)methyl]-1H-benzimidazole-6-carboxylic acid, 2-(4-Amino-benzyl)-1H-benzoimidazole-5-carboxylic acid, 2-[(4-aminophenyl)methyl]-3H-benzimidazole-5-carboxylic acid
| Molecular Formula | C15H13N3O2 |
|---|---|
| Molecular Weight | 267.10 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 92.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 267.10077 |
| Heavy Atoms | 20 |
| Complexity | 355.0 |
Chemical Identifiers
| CAS Number | 208118-15-4 |
|---|---|
| SMILES | C1=CC(=CC=C1CC2=NC3=C(N2)C=C(C=C3)C(=O)O)N |
| InChIKey | LUSMSAJRZGXJCJ-UHFFFAOYSA-N |
Product Overview
2-[(4-Aminophenyl)methyl]-1H-benzimidazole-6-carboxylic acid (CAS 208118-15-4), with molecular formula C15H13N3O2 and molecular weight 267.10 g/mol. IUPAC: 2-[(4-aminophenyl)methyl]-3H-benzimidazole-5-carboxylic acid.
Chemical Property Profile of 2-[(4-Aminophenyl)methyl]-1H-benzimidazole-6-carboxylic acid
Property Insights of 2-[(4-Aminophenyl)methyl]-1H-benzimidazole-6-carboxylic acid
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[(4-Aminophenyl)methyl]-1H-benzimidazole-6-carboxylic acid. The TPSA of 92.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(4-Aminophenyl)methyl]-1H-benzimidazole-6-carboxylic acid. Following Lipinski's Rule of Five, 2-[(4-Aminophenyl)methyl]-1H-benzimidazole-6-carboxylic acid has 3 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-[(4-Aminophenyl)methyl]-1H-benzimidazole-6-carboxylic acid?
The CAS number of 2-[(4-Aminophenyl)methyl]-1H-benzimidazole-6-carboxylic acid is 208118-15-4.
What is the molecular formula of 2-[(4-Aminophenyl)methyl]-1H-benzimidazole-6-carboxylic acid?
The molecular formula of 2-[(4-Aminophenyl)methyl]-1H-benzimidazole-6-carboxylic acid is C15H13N3O2.
What is the molecular weight of 2-[(4-Aminophenyl)methyl]-1H-benzimidazole-6-carboxylic acid?
The molecular weight of 2-[(4-Aminophenyl)methyl]-1H-benzimidazole-6-carboxylic acid is 267.10 g/mol.
Where can I buy 2-[(4-Aminophenyl)methyl]-1H-benzimidazole-6-carboxylic acid?
You can request a quote for 2-[(4-Aminophenyl)methyl]-1H-benzimidazole-6-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(4-Aminophenyl)methyl]-1H-benzimidazole-6-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-[(4-Aminophenyl)methyl]-1H-benzimidazole-6-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.