2-(1H-Benzimidazol-2-YL)-3-(4-methoxyphenyl)acrylonitrile
TL;DR: 2-(1H-Benzimidazol-2-YL)-3-(4-methoxyphenyl)acrylonitrile (CAS 79613-20-0) is a chemical compound with molecular formula C17H13N3O and molecular weight 275.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-2-(1H-benzimidazol-2-yl)-3-(4-methoxyphenyl)prop-2-enenitrile
Also Known As: J3.507.122I, AB00083399-01, 2-(1H-benzo[d]imidazol-2-yl)-3-(4-methoxyphenyl)acrylonitrile, (E)-2-(1H-benzimidazol-2-yl)-3-(4-methoxyphenyl)prop-2-enenitrile, 2-(1H-1,3-benzodiazol-2-yl)-3-(4-methoxyphenyl)prop-2-enenitrile
| Molecular Formula | C17H13N3O |
|---|---|
| Molecular Weight | 275.11 g/mol |
| LogP | 3.63568 |
| Topological Polar Surface Area | 61.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 275.10587 |
| Heavy Atoms | 21 |
| Complexity | 805.3478 |
Chemical Identifiers
| CAS Number | 79613-20-0 |
|---|---|
| SMILES | COC1=CC=C(C=C1)/C=C(\C#N)/C2=NC3=CC=CC=C3N2 |
Product Overview
2-(1H-Benzimidazol-2-YL)-3-(4-methoxyphenyl)acrylonitrile (CAS 79613-20-0), with molecular formula C17H13N3O and molecular weight 275.11 g/mol. IUPAC: (E)-2-(1H-benzimidazol-2-yl)-3-(4-methoxyphenyl)prop-2-enenitrile.
Chemical Property Profile of 2-(1H-Benzimidazol-2-YL)-3-(4-methoxyphenyl)acrylonitrile
Property Insights of 2-(1H-Benzimidazol-2-YL)-3-(4-methoxyphenyl)acrylonitrile
The XLogP value of 3.63568 indicates that 2-(1H-Benzimidazol-2-YL)-3-(4-methoxyphenyl)acrylonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(1H-Benzimidazol-2-YL)-3-(4-methoxyphenyl)acrylonitrile. Following Lipinski's Rule of Five, 2-(1H-Benzimidazol-2-YL)-3-(4-methoxyphenyl)acrylonitrile has 1 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 2-(1H-Benzimidazol-2-YL)-3-(4-methoxyphenyl)acrylonitrile?
The CAS number of 2-(1H-Benzimidazol-2-YL)-3-(4-methoxyphenyl)acrylonitrile is 79613-20-0.
What is the molecular formula of 2-(1H-Benzimidazol-2-YL)-3-(4-methoxyphenyl)acrylonitrile?
The molecular formula of 2-(1H-Benzimidazol-2-YL)-3-(4-methoxyphenyl)acrylonitrile is C17H13N3O.
What is the molecular weight of 2-(1H-Benzimidazol-2-YL)-3-(4-methoxyphenyl)acrylonitrile?
The molecular weight of 2-(1H-Benzimidazol-2-YL)-3-(4-methoxyphenyl)acrylonitrile is 275.11 g/mol.
Where can I buy 2-(1H-Benzimidazol-2-YL)-3-(4-methoxyphenyl)acrylonitrile?
You can request a quote for 2-(1H-Benzimidazol-2-YL)-3-(4-methoxyphenyl)acrylonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(1H-Benzimidazol-2-YL)-3-(4-methoxyphenyl)acrylonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(1H-Benzimidazol-2-YL)-3-(4-methoxyphenyl)acrylonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.