1H-Benzimidazole-2-acetonitrile, alpha-((2-chlorophenyl)methylene)-
TL;DR: 1H-Benzimidazole-2-acetonitrile, alpha-((2-chlorophenyl)methylene)- (CAS 79613-28-8) is a chemical compound with molecular formula C16H10ClN3 and molecular weight 279.06 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-(2-chlorophenyl)prop-2-enenitrile
Also Known As: CDS1_000828, 5-25-05-00247 (Beilstein Handbook Reference), 2-(1H-benzimidazol-2-yl)-3-(2-chlorophenyl)acrylonitrile, alpha-((2-Chlorophenyl)methylene)-1H-benzimidazole-2-acetonitrile, 1H-Benzimidazole-2-acetonitrile, alpha-((2-chlorophenyl)methylene)-
| Molecular Formula | C16H10ClN3 |
|---|---|
| Molecular Weight | 279.06 g/mol |
| LogP | 4.28048 |
| Topological Polar Surface Area | 52.47 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 279.05634 |
| Heavy Atoms | 20 |
| Complexity | 807.0493 |
Chemical Identifiers
| CAS Number | 79613-28-8 |
|---|---|
| SMILES | C1=CC=C(C(=C1)/C=C(\C#N)/C2=NC3=CC=CC=C3N2)Cl |
Product Overview
1H-Benzimidazole-2-acetonitrile, alpha-((2-chlorophenyl)methylene)- (CAS 79613-28-8), with molecular formula C16H10ClN3 and molecular weight 279.06 g/mol. IUPAC: (E)-2-(1H-benzimidazol-2-yl)-3-(2-chlorophenyl)prop-2-enenitrile.
Chemical Property Profile of 1H-Benzimidazole-2-acetonitrile, alpha-((2-chlorophenyl)methylene)-
Property Insights of 1H-Benzimidazole-2-acetonitrile, alpha-((2-chlorophenyl)methylene)-
The XLogP value of 4.28048 indicates that 1H-Benzimidazole-2-acetonitrile, alpha-((2-chlorophenyl)methylene)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.47 Ų, 1H-Benzimidazole-2-acetonitrile, alpha-((2-chlorophenyl)methylene)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1H-Benzimidazole-2-acetonitrile, alpha-((2-chlorophenyl)methylene)- has 1 hydrogen bond donor(s) and 2 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 1H-Benzimidazole-2-acetonitrile, alpha-((2-chlorophenyl)methylene)-?
The CAS number of 1H-Benzimidazole-2-acetonitrile, alpha-((2-chlorophenyl)methylene)- is 79613-28-8.
What is the molecular formula of 1H-Benzimidazole-2-acetonitrile, alpha-((2-chlorophenyl)methylene)-?
The molecular formula of 1H-Benzimidazole-2-acetonitrile, alpha-((2-chlorophenyl)methylene)- is C16H10ClN3.
What is the molecular weight of 1H-Benzimidazole-2-acetonitrile, alpha-((2-chlorophenyl)methylene)-?
The molecular weight of 1H-Benzimidazole-2-acetonitrile, alpha-((2-chlorophenyl)methylene)- is 279.06 g/mol.
Where can I buy 1H-Benzimidazole-2-acetonitrile, alpha-((2-chlorophenyl)methylene)-?
You can request a quote for 1H-Benzimidazole-2-acetonitrile, alpha-((2-chlorophenyl)methylene)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-Benzimidazole-2-acetonitrile, alpha-((2-chlorophenyl)methylene)-?
Yes, KEHONG BIO provides custom synthesis services for 1H-Benzimidazole-2-acetonitrile, alpha-((2-chlorophenyl)methylene)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.