N-(1H-benzimidazol-2-ylmethyl)-3,4-dimethoxybenzamide
TL;DR: N-(1H-benzimidazol-2-ylmethyl)-3,4-dimethoxybenzamide (CAS 727661-71-4) is a chemical compound with molecular formula C17H17N3O3 and molecular weight 311.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1H-benzimidazol-2-ylmethyl)-3,4-dimethoxybenzamide
Also Known As: N-(1H-benzimidazol-2-ylmethyl)-3,4-dimethoxybenzamide, N-(1H-benzimidazol-2-ylmethyl)-3,4-dimethoxy-benzamide, A3715/0157378, N-(benzimidazol-2-ylmethyl)(3,4-dimethoxyphenyl)carboxamide
| Molecular Formula | C17H17N3O3 |
|---|---|
| Molecular Weight | 311.13 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 76.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 311.12698 |
| Heavy Atoms | 23 |
| Complexity | 407.0 |
Chemical Identifiers
| CAS Number | 727661-71-4 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C(=O)NCC2=NC3=CC=CC=C3N2)OC |
| InChIKey | JANQZRWEDYHYJC-UHFFFAOYSA-N |
Product Overview
N-(1H-benzimidazol-2-ylmethyl)-3,4-dimethoxybenzamide (CAS 727661-71-4), with molecular formula C17H17N3O3 and molecular weight 311.13 g/mol. IUPAC: N-(1H-benzimidazol-2-ylmethyl)-3,4-dimethoxybenzamide.
Chemical Property Profile of N-(1H-benzimidazol-2-ylmethyl)-3,4-dimethoxybenzamide
Property Insights of N-(1H-benzimidazol-2-ylmethyl)-3,4-dimethoxybenzamide
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(1H-benzimidazol-2-ylmethyl)-3,4-dimethoxybenzamide. The TPSA of 76.2 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(1H-benzimidazol-2-ylmethyl)-3,4-dimethoxybenzamide. Following Lipinski's Rule of Five, N-(1H-benzimidazol-2-ylmethyl)-3,4-dimethoxybenzamide has 2 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 N-(1H-benzimidazol-2-ylmethyl)-3,4-dimethoxybenzamide?
The CAS number of N-(1H-benzimidazol-2-ylmethyl)-3,4-dimethoxybenzamide is 727661-71-4.
What is the molecular formula of N-(1H-benzimidazol-2-ylmethyl)-3,4-dimethoxybenzamide?
The molecular formula of N-(1H-benzimidazol-2-ylmethyl)-3,4-dimethoxybenzamide is C17H17N3O3.
What is the molecular weight of N-(1H-benzimidazol-2-ylmethyl)-3,4-dimethoxybenzamide?
The molecular weight of N-(1H-benzimidazol-2-ylmethyl)-3,4-dimethoxybenzamide is 311.13 g/mol.
Where can I buy N-(1H-benzimidazol-2-ylmethyl)-3,4-dimethoxybenzamide?
You can request a quote for N-(1H-benzimidazol-2-ylmethyl)-3,4-dimethoxybenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(1H-benzimidazol-2-ylmethyl)-3,4-dimethoxybenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-(1H-benzimidazol-2-ylmethyl)-3,4-dimethoxybenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.