5-chloro-1-methyl-1H-imidazole
TL;DR: 5-chloro-1-methyl-1H-imidazole (CAS 872-49-1) is a chemical compound with molecular formula C4H5ClN2 and molecular weight 116.01413 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-chloro-1-methylimidazole
Also Known As: 5-Chloro-1-methylimidazole, 5-Chloro-1-methyl-1H-imidazole, 1-Methyl-5-chloroimidazole, 1H-Imidazole, 5-chloro-1-methyl-, zlchem 661
Application Areas
Top 5 of 11 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C4H5ClN2 |
| Molecular Weight | 116.01413 g/mol |
| XLogP | 1.0 |
| Topological Polar Surface Area (TPSA) | 17.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 116.01413 Da |
| Heavy Atoms | 7 |
| Complexity | 66.0 |
| SMILES | CN1C=NC=C1Cl |
| InChIKey | NYDGOZPYEABERA-UHFFFAOYSA-N |
Chemical Property Profile of 5-chloro-1-methyl-1H-imidazole
Property Insights of 5-chloro-1-methyl-1H-imidazole
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-chloro-1-methyl-1H-imidazole. With a topological polar surface area (TPSA) of 17.8 Ų, 5-chloro-1-methyl-1H-imidazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-chloro-1-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
What is the CAS number of 5-chloro-1-methyl-1H-imidazole?
The CAS number of 5-chloro-1-methyl-1H-imidazole is 872-49-1.
What is the molecular formula of 5-chloro-1-methyl-1H-imidazole?
The molecular formula of 5-chloro-1-methyl-1H-imidazole is C4H5ClN2.
What is the molecular weight of 5-chloro-1-methyl-1H-imidazole?
The molecular weight of 5-chloro-1-methyl-1H-imidazole is 116.01413 g/mol.
Where can I buy 5-chloro-1-methyl-1H-imidazole?
You can request a quote for 5-chloro-1-methyl-1H-imidazole directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 5-chloro-1-methyl-1H-imidazole?
Yes, CoreyChem provides custom synthesis services for 5-chloro-1-methyl-1H-imidazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.