1-(2-chloroethyl)-2-methyl-1H-imidazole
TL;DR: 1-(2-chloroethyl)-2-methyl-1H-imidazole (CAS 56894-20-3) is a chemical compound with molecular formula C6H9ClN2 and molecular weight 144.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2-chloroethyl)-2-methylimidazole
Also Known As: 1-(2-chloroethyl)-2-methyl-1H-imidazole, 1-(2-chloroethyl)-2-methylimidazole, 1,1-Ethanediol,1-methoxy, 1-(2-chloroethyl)-2-methyl-imidazole, 1-(2-Chloro-ethyl)-2-methyl-1h-imidazole
| Molecular Formula | C6H9ClN2 |
|---|---|
| Molecular Weight | 144.05 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 17.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 144.04543 |
| Heavy Atoms | 9 |
| Complexity | 87.0 |
Chemical Identifiers
| CAS Number | 56894-20-3 |
|---|---|
| SMILES | CC1=NC=CN1CCCl |
| InChIKey | PIYNTNXOGGKWDR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-(2-chloroethyl)-2-methyl-1H-imidazole (CAS 56894-20-3), with molecular formula C6H9ClN2 and molecular weight 144.05 g/mol. IUPAC: 1-(2-chloroethyl)-2-methylimidazole.
Chemical Property Profile of 1-(2-chloroethyl)-2-methyl-1H-imidazole
Property Insights of 1-(2-chloroethyl)-2-methyl-1H-imidazole
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(2-chloroethyl)-2-methyl-1H-imidazole. With a topological polar surface area (TPSA) of 17.8 Ų, 1-(2-chloroethyl)-2-methyl-1H-imidazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(2-chloroethyl)-2-methyl-1H-imidazole has 0 hydrogen bond donor(s) and 1 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 1-(2-chloroethyl)-2-methyl-1H-imidazole?
The CAS number of 1-(2-chloroethyl)-2-methyl-1H-imidazole is 56894-20-3.
What is the molecular formula of 1-(2-chloroethyl)-2-methyl-1H-imidazole?
The molecular formula of 1-(2-chloroethyl)-2-methyl-1H-imidazole is C6H9ClN2.
What is the molecular weight of 1-(2-chloroethyl)-2-methyl-1H-imidazole?
The molecular weight of 1-(2-chloroethyl)-2-methyl-1H-imidazole is 144.05 g/mol.
Where can I buy 1-(2-chloroethyl)-2-methyl-1H-imidazole?
You can request a quote for 1-(2-chloroethyl)-2-methyl-1H-imidazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(2-chloroethyl)-2-methyl-1H-imidazole?
Yes, KEHONG BIO provides custom synthesis services for 1-(2-chloroethyl)-2-methyl-1H-imidazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.