![4-{[(1-methyl-1H-benzimidazol-2-yl)methyl]amino}benzoic acid structure](/static/products/3285/328559-27-9.webp)
4-{[(1-methyl-1H-benzimidazol-2-yl)methyl]amino}benzoic acid
TL;DR: 4-{[(1-methyl-1H-benzimidazol-2-yl)methyl]amino}benzoic acid (CAS 328559-27-9) is a chemical compound with molecular formula C16H15N3O2 and molecular weight 281.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(1-methylbenzimidazol-2-yl)methylamino]benzoic acid
Also Known As: 4-{[(1-methyl-1H-benzimidazol-2-yl)methyl]amino}benzoic acid, ChemDiv2_003697, CHEMBRDG-BB5663386, CHEMBRDG-BB 5663386, 4-[(1-methylbenzimidazol-2-yl)methylamino]benzoic acid
| Molecular Formula | C16H15N3O2 |
|---|---|
| Molecular Weight | 281.12 g/mol |
| LogP | 2.8836 |
| Topological Polar Surface Area | 67.15 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 281.11642 |
| Heavy Atoms | 21 |
| Complexity | 790.8922 |
Chemical Identifiers
| CAS Number | 328559-27-9 |
|---|---|
| SMILES | CN1C2=CC=CC=C2N=C1CNC3=CC=C(C=C3)C(=O)O |
Product Overview
4-{[(1-methyl-1H-benzimidazol-2-yl)methyl]amino}benzoic acid (CAS 328559-27-9), with molecular formula C16H15N3O2 and molecular weight 281.12 g/mol. IUPAC: 4-[(1-methylbenzimidazol-2-yl)methylamino]benzoic acid.
Chemical Property Profile of 4-{[(1-methyl-1H-benzimidazol-2-yl)methyl]amino}benzoic acid
Property Insights of 4-{[(1-methyl-1H-benzimidazol-2-yl)methyl]amino}benzoic acid
The XLogP value of 2.8836 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-{[(1-methyl-1H-benzimidazol-2-yl)methyl]amino}benzoic acid. The TPSA of 67.15 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-{[(1-methyl-1H-benzimidazol-2-yl)methyl]amino}benzoic acid. Following Lipinski's Rule of Five, 4-{[(1-methyl-1H-benzimidazol-2-yl)methyl]amino}benzoic acid has 2 hydrogen bond donor(s) and 3 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 4-{[(1-methyl-1H-benzimidazol-2-yl)methyl]amino}benzoic acid?
The CAS number of 4-{[(1-methyl-1H-benzimidazol-2-yl)methyl]amino}benzoic acid is 328559-27-9.
What is the molecular formula of 4-{[(1-methyl-1H-benzimidazol-2-yl)methyl]amino}benzoic acid?
The molecular formula of 4-{[(1-methyl-1H-benzimidazol-2-yl)methyl]amino}benzoic acid is C16H15N3O2.
What is the molecular weight of 4-{[(1-methyl-1H-benzimidazol-2-yl)methyl]amino}benzoic acid?
The molecular weight of 4-{[(1-methyl-1H-benzimidazol-2-yl)methyl]amino}benzoic acid is 281.12 g/mol.
Where can I buy 4-{[(1-methyl-1H-benzimidazol-2-yl)methyl]amino}benzoic acid?
You can request a quote for 4-{[(1-methyl-1H-benzimidazol-2-yl)methyl]amino}benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-{[(1-methyl-1H-benzimidazol-2-yl)methyl]amino}benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-{[(1-methyl-1H-benzimidazol-2-yl)methyl]amino}benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.