5-Chloro-4-methyl-1H-imidazole
TL;DR: 5-Chloro-4-methyl-1H-imidazole (CAS 86604-94-6) 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.
4-chloro-5-methyl-1H-imidazole
Also Known As: 4-Chloro-5-methyl-1H-imidazole, 5-chloro-4-methyl-1H-imidazole, 4-methyl-5-chloroimidazole, EINECS 289-259-0, 1H-Imidazole, 5-chloro-4-methyl-
| Molecular Formula | C4H5ClN2 |
|---|---|
| Molecular Weight | 116.01 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 28.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 116.01413 |
| Heavy Atoms | 7 |
| Complexity | 66.0 |
Chemical Identifiers
| CAS Number | 86604-94-6 |
|---|---|
| SMILES | CC1=C(N=CN1)Cl |
| InChIKey | QJHGJSHNFXKDQH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-Chloro-4-methyl-1H-imidazole (CAS 86604-94-6), with molecular formula C4H5ClN2 and molecular weight 116.01 g/mol. IUPAC: 4-chloro-5-methyl-1H-imidazole.
Chemical Property Profile of 5-Chloro-4-methyl-1H-imidazole
Property Insights of 5-Chloro-4-methyl-1H-imidazole
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Chloro-4-methyl-1H-imidazole. With a topological polar surface area (TPSA) of 28.7 Ų, 5-Chloro-4-methyl-1H-imidazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Chloro-4-methyl-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 5-Chloro-4-methyl-1H-imidazole?
The CAS number of 5-Chloro-4-methyl-1H-imidazole is 86604-94-6.
What is the molecular formula of 5-Chloro-4-methyl-1H-imidazole?
The molecular formula of 5-Chloro-4-methyl-1H-imidazole is C4H5ClN2.
What is the molecular weight of 5-Chloro-4-methyl-1H-imidazole?
The molecular weight of 5-Chloro-4-methyl-1H-imidazole is 116.01 g/mol.
Where can I buy 5-Chloro-4-methyl-1H-imidazole?
You can request a quote for 5-Chloro-4-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 5-Chloro-4-methyl-1H-imidazole?
Yes, KEHONG BIO provides custom synthesis services for 5-Chloro-4-methyl-1H-imidazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.