2-(chloromethyl)-1H-imidazole
TL;DR: 2-(chloromethyl)-1H-imidazole (CAS 40403-72-3) is a chemical compound with molecular formula C4H5ClN2 and molecular weight 116.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(chloromethyl)-1H-imidazole
Also Known As: 2-(chloromethyl)-1H-imidazole, 2- imidazole, 2-(CHLOROMETHYL)IMIDAZOLE, chloromethylimidazole, 2-chloromethylimidazole
| Molecular Formula | C4H5ClN2 |
|---|---|
| Molecular Weight | 116.01 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 28.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 116.01413 |
| Heavy Atoms | 7 |
| Complexity | 57.0 |
Chemical Identifiers
| CAS Number | 40403-72-3 |
|---|---|
| SMILES | C1=CN=C(N1)CCl |
| InChIKey | UGHWFYKQWZHCHK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(chloromethyl)-1H-imidazole (CAS 40403-72-3), with molecular formula C4H5ClN2 and molecular weight 116.01 g/mol. IUPAC: 2-(chloromethyl)-1H-imidazole.
Chemical Property Profile of 2-(chloromethyl)-1H-imidazole
Property Insights of 2-(chloromethyl)-1H-imidazole
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(chloromethyl)-1H-imidazole. With a topological polar surface area (TPSA) of 28.7 Ų, 2-(chloromethyl)-1H-imidazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(chloromethyl)-1H-imidazole has 1 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 2-(chloromethyl)-1H-imidazole?
The CAS number of 2-(chloromethyl)-1H-imidazole is 40403-72-3.
What is the molecular formula of 2-(chloromethyl)-1H-imidazole?
The molecular formula of 2-(chloromethyl)-1H-imidazole is C4H5ClN2.
What is the molecular weight of 2-(chloromethyl)-1H-imidazole?
The molecular weight of 2-(chloromethyl)-1H-imidazole is 116.01 g/mol.
Where can I buy 2-(chloromethyl)-1H-imidazole?
You can request a quote for 2-(chloromethyl)-1H-imidazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(chloromethyl)-1H-imidazole?
Yes, KEHONG BIO provides custom synthesis services for 2-(chloromethyl)-1H-imidazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.