2-chloro-6-(1H-imidazol-1-yl)benzonitrile
TL;DR: 2-chloro-6-(1H-imidazol-1-yl)benzonitrile (CAS 287176-53-8) is a chemical compound with molecular formula C10H6ClN3 and molecular weight 203.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-6-imidazol-1-ylbenzonitrile
Also Known As: 2-CHLORO-6-(1H-IMIDAZOL-1-YL)BENZONITRILE, 2-chloro-6-imidazol-1-ylbenzonitrile, 2-chloro-6-(1H-imidazol-1-yl)benzenecarbonitrile, Benzonitrile, 2-chloro-6-(1H-imidazol-1-yl)-, 2-chloro-7-methyl-3-phenylquinoline
| Molecular Formula | C10H6ClN3 |
|---|---|
| Molecular Weight | 203.03 g/mol |
| LogP | 2.39738 |
| Topological Polar Surface Area | 41.61 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 203.02502 |
| Heavy Atoms | 14 |
| Complexity | 482.5634 |
Chemical Identifiers
| CAS Number | 287176-53-8 |
|---|---|
| SMILES | C1=CC(=C(C(=C1)Cl)C#N)N2C=CN=C2 |
Product Overview
2-chloro-6-(1H-imidazol-1-yl)benzonitrile (CAS 287176-53-8), with molecular formula C10H6ClN3 and molecular weight 203.03 g/mol. IUPAC: 2-chloro-6-imidazol-1-ylbenzonitrile.
Chemical Property Profile of 2-chloro-6-(1H-imidazol-1-yl)benzonitrile
Property Insights of 2-chloro-6-(1H-imidazol-1-yl)benzonitrile
The XLogP value of 2.39738 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-chloro-6-(1H-imidazol-1-yl)benzonitrile. With a topological polar surface area (TPSA) of 41.61 Ų, 2-chloro-6-(1H-imidazol-1-yl)benzonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-chloro-6-(1H-imidazol-1-yl)benzonitrile has 0 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 2-chloro-6-(1H-imidazol-1-yl)benzonitrile?
The CAS number of 2-chloro-6-(1H-imidazol-1-yl)benzonitrile is 287176-53-8.
What is the molecular formula of 2-chloro-6-(1H-imidazol-1-yl)benzonitrile?
The molecular formula of 2-chloro-6-(1H-imidazol-1-yl)benzonitrile is C10H6ClN3.
What is the molecular weight of 2-chloro-6-(1H-imidazol-1-yl)benzonitrile?
The molecular weight of 2-chloro-6-(1H-imidazol-1-yl)benzonitrile is 203.03 g/mol.
Where can I buy 2-chloro-6-(1H-imidazol-1-yl)benzonitrile?
You can request a quote for 2-chloro-6-(1H-imidazol-1-yl)benzonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-chloro-6-(1H-imidazol-1-yl)benzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-chloro-6-(1H-imidazol-1-yl)benzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.