4-((5-(Chloromethyl)-1H-imidazol-1-yl)methyl)benzonitrile hydrochloride
TL;DR: 4-((5-(Chloromethyl)-1H-imidazol-1-yl)methyl)benzonitrile hydrochloride (CAS 197856-23-8) is a chemical compound with molecular formula C12H11Cl2N3 and molecular weight 267.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[5-(chloromethyl)imidazol-1-yl]methyl]benzonitrile;hydrochloride
Also Known As: 4-((5-(Chloromethyl)-1H-imidazol-1-yl)methyl)benzonitrile hydrochloride, 1-(4-cyanobenzyl)-5-chloromethylimidazole hydrochloride, 1-(4-cyanobenzyl)-5-(chloromethyl)imidazole hydrochloride, 1-(4-cyano-benzyl)-5-chloromethylimidazole hydrochloride salt, 1-(4-cyanobenzyl)-5-chloromethyl-imidazole hydrochloride salt
| Molecular Formula | C12H11Cl2N3 |
|---|---|
| Molecular Weight | 267.03 g/mol |
| LogP | 2.96368 |
| Topological Polar Surface Area | 41.61 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 267.033 |
| Heavy Atoms | 17 |
| Complexity | 511.29218 |
Chemical Identifiers
| CAS Number | 197856-23-8 |
|---|---|
| SMILES | C1=CC(=CC=C1CN2C=NC=C2CCl)C#N.Cl |
Product Overview
4-((5-(Chloromethyl)-1H-imidazol-1-yl)methyl)benzonitrile hydrochloride (CAS 197856-23-8), with molecular formula C12H11Cl2N3 and molecular weight 267.03 g/mol. IUPAC: 4-[[5-(chloromethyl)imidazol-1-yl]methyl]benzonitrile;hydrochloride.
Chemical Property Profile of 4-((5-(Chloromethyl)-1H-imidazol-1-yl)methyl)benzonitrile hydrochloride
Property Insights of 4-((5-(Chloromethyl)-1H-imidazol-1-yl)methyl)benzonitrile hydrochloride
The XLogP value of 2.96368 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-((5-(Chloromethyl)-1H-imidazol-1-yl)methyl)benzonitrile hydrochloride. With a topological polar surface area (TPSA) of 41.61 Ų, 4-((5-(Chloromethyl)-1H-imidazol-1-yl)methyl)benzonitrile hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-((5-(Chloromethyl)-1H-imidazol-1-yl)methyl)benzonitrile hydrochloride 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 4-((5-(Chloromethyl)-1H-imidazol-1-yl)methyl)benzonitrile hydrochloride?
The CAS number of 4-((5-(Chloromethyl)-1H-imidazol-1-yl)methyl)benzonitrile hydrochloride is 197856-23-8.
What is the molecular formula of 4-((5-(Chloromethyl)-1H-imidazol-1-yl)methyl)benzonitrile hydrochloride?
The molecular formula of 4-((5-(Chloromethyl)-1H-imidazol-1-yl)methyl)benzonitrile hydrochloride is C12H11Cl2N3.
What is the molecular weight of 4-((5-(Chloromethyl)-1H-imidazol-1-yl)methyl)benzonitrile hydrochloride?
The molecular weight of 4-((5-(Chloromethyl)-1H-imidazol-1-yl)methyl)benzonitrile hydrochloride is 267.03 g/mol.
Where can I buy 4-((5-(Chloromethyl)-1H-imidazol-1-yl)methyl)benzonitrile hydrochloride?
You can request a quote for 4-((5-(Chloromethyl)-1H-imidazol-1-yl)methyl)benzonitrile hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-((5-(Chloromethyl)-1H-imidazol-1-yl)methyl)benzonitrile hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 4-((5-(Chloromethyl)-1H-imidazol-1-yl)methyl)benzonitrile hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.