4-methyl-1H-imidazole-2-carbonitrile
TL;DR: 4-methyl-1H-imidazole-2-carbonitrile (CAS 70631-95-7) is a chemical compound with molecular formula C5H5N3 and molecular weight 107.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-methyl-1H-imidazole-2-carbonitrile
Also Known As: 4-Methyl-1H-imidazole-2-carbonitrile, 2,4-Dimethylimidazole, 5-methyl-1H-imidazole-2-carbonitrile, Imidazole, 2-cyano-4-methyl-, 1H-Imidazole-2-carbonitrile, 5-methyl-
| Molecular Formula | C5H5N3 |
|---|---|
| Molecular Weight | 107.05 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 52.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 107.04835 |
| Heavy Atoms | 8 |
| Complexity | 123.0 |
Chemical Identifiers
| CAS Number | 70631-95-7 |
|---|---|
| SMILES | CC1=CN=C(N1)C#N |
| InChIKey | SMSBRGXJBHXFMW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-methyl-1H-imidazole-2-carbonitrile (CAS 70631-95-7), with molecular formula C5H5N3 and molecular weight 107.05 g/mol. IUPAC: 5-methyl-1H-imidazole-2-carbonitrile.
Chemical Property Profile of 4-methyl-1H-imidazole-2-carbonitrile
Property Insights of 4-methyl-1H-imidazole-2-carbonitrile
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-methyl-1H-imidazole-2-carbonitrile. With a topological polar surface area (TPSA) of 52.5 Ų, 4-methyl-1H-imidazole-2-carbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-methyl-1H-imidazole-2-carbonitrile has 1 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-methyl-1H-imidazole-2-carbonitrile?
The CAS number of 4-methyl-1H-imidazole-2-carbonitrile is 70631-95-7.
What is the molecular formula of 4-methyl-1H-imidazole-2-carbonitrile?
The molecular formula of 4-methyl-1H-imidazole-2-carbonitrile is C5H5N3.
What is the molecular weight of 4-methyl-1H-imidazole-2-carbonitrile?
The molecular weight of 4-methyl-1H-imidazole-2-carbonitrile is 107.05 g/mol.
Where can I buy 4-methyl-1H-imidazole-2-carbonitrile?
You can request a quote for 4-methyl-1H-imidazole-2-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-methyl-1H-imidazole-2-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-methyl-1H-imidazole-2-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.