1H-Benzimidazole-2-acetonitrile, alpha-((2-chlorophenyl)methylene)-4-methyl-
TL;DR: 1H-Benzimidazole-2-acetonitrile, alpha-((2-chlorophenyl)methylene)-4-methyl- (CAS 80144-03-2) is a chemical compound with molecular formula C17H12ClN3 and molecular weight 293.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-3-(2-chlorophenyl)-2-(4-methyl-1H-benzimidazol-2-yl)prop-2-enenitrile
Also Known As: alpha-((2-Chlorophenyl)methylene)-4-methyl-1H-benzimidazole-2-acetonitrile, 1H-Benzimidazole-2-acetonitrile, alpha-((2-chlorophenyl)methylene)-4-methyl-, (E)-3-(2-chlorophenyl)-2-(4-methyl-1H-benzimidazol-2-yl)prop-2-enenitrile, RefChem:1057848
| Molecular Formula | C17H12ClN3 |
|---|---|
| Molecular Weight | 293.07 g/mol |
| LogP | 4.5889 |
| Topological Polar Surface Area | 52.47 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 293.07196 |
| Heavy Atoms | 21 |
| Complexity | 884.43176 |
Chemical Identifiers
| CAS Number | 80144-03-2 |
|---|---|
| SMILES | CC1=C2C(=CC=C1)NC(=N2)/C(=C/C3=CC=CC=C3Cl)/C#N |
Product Overview
1H-Benzimidazole-2-acetonitrile, alpha-((2-chlorophenyl)methylene)-4-methyl- (CAS 80144-03-2), with molecular formula C17H12ClN3 and molecular weight 293.07 g/mol. IUPAC: (E)-3-(2-chlorophenyl)-2-(4-methyl-1H-benzimidazol-2-yl)prop-2-enenitrile.
Chemical Property Profile of 1H-Benzimidazole-2-acetonitrile, alpha-((2-chlorophenyl)methylene)-4-methyl-
Property Insights of 1H-Benzimidazole-2-acetonitrile, alpha-((2-chlorophenyl)methylene)-4-methyl-
The XLogP value of 4.5889 indicates that 1H-Benzimidazole-2-acetonitrile, alpha-((2-chlorophenyl)methylene)-4-methyl- 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)-4-methyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1H-Benzimidazole-2-acetonitrile, alpha-((2-chlorophenyl)methylene)-4-methyl- 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)-4-methyl-?
The CAS number of 1H-Benzimidazole-2-acetonitrile, alpha-((2-chlorophenyl)methylene)-4-methyl- is 80144-03-2.
What is the molecular formula of 1H-Benzimidazole-2-acetonitrile, alpha-((2-chlorophenyl)methylene)-4-methyl-?
The molecular formula of 1H-Benzimidazole-2-acetonitrile, alpha-((2-chlorophenyl)methylene)-4-methyl- is C17H12ClN3.
What is the molecular weight of 1H-Benzimidazole-2-acetonitrile, alpha-((2-chlorophenyl)methylene)-4-methyl-?
The molecular weight of 1H-Benzimidazole-2-acetonitrile, alpha-((2-chlorophenyl)methylene)-4-methyl- is 293.07 g/mol.
Where can I buy 1H-Benzimidazole-2-acetonitrile, alpha-((2-chlorophenyl)methylene)-4-methyl-?
You can request a quote for 1H-Benzimidazole-2-acetonitrile, alpha-((2-chlorophenyl)methylene)-4-methyl- 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)-4-methyl-?
Yes, KEHONG BIO provides custom synthesis services for 1H-Benzimidazole-2-acetonitrile, alpha-((2-chlorophenyl)methylene)-4-methyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.