1-(2-cyanophenyl)-3-methyl-1H-imidazol-3-ium iodide
TL;DR: 1-(2-cyanophenyl)-3-methyl-1H-imidazol-3-ium iodide (CAS 321385-64-2) is a chemical compound with molecular formula C11H10IN3 and molecular weight 310.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3-methylimidazol-3-ium-1-yl)benzonitrile iodide
Also Known As: 1-(2-cyanophenyl)-3-methyl-1H-imidazol-3-ium iodide, 2-(3-methylimidazol-1-yl)benzonitrile Iodide, 2-(3-methylimidazol-3-ium-1-yl)benzonitrile;iodide, 11A-033, 2-(3-methylimidazol-3-ium-1-yl)benzonitrile iodide
| Molecular Formula | C11H10IN3 |
|---|---|
| Molecular Weight | 310.99 g/mol |
| LogP | -1.82252 |
| Topological Polar Surface Area | 32.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 310.99194 |
| Heavy Atoms | 15 |
| Complexity | 496.5293 |
Chemical Identifiers
| CAS Number | 321385-64-2 |
|---|---|
| SMILES | C[N+]1=CN(C=C1)C2=CC=CC=C2C#N.[I-] |
Product Overview
1-(2-cyanophenyl)-3-methyl-1H-imidazol-3-ium iodide (CAS 321385-64-2), with molecular formula C11H10IN3 and molecular weight 310.99 g/mol. IUPAC: 2-(3-methylimidazol-3-ium-1-yl)benzonitrile iodide.
Chemical Property Profile of 1-(2-cyanophenyl)-3-methyl-1H-imidazol-3-ium iodide
Property Insights of 1-(2-cyanophenyl)-3-methyl-1H-imidazol-3-ium iodide
The XLogP value of -1.82252 indicates that 1-(2-cyanophenyl)-3-methyl-1H-imidazol-3-ium iodide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 32.6 Ų, 1-(2-cyanophenyl)-3-methyl-1H-imidazol-3-ium iodide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(2-cyanophenyl)-3-methyl-1H-imidazol-3-ium iodide 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-cyanophenyl)-3-methyl-1H-imidazol-3-ium iodide?
The CAS number of 1-(2-cyanophenyl)-3-methyl-1H-imidazol-3-ium iodide is 321385-64-2.
What is the molecular formula of 1-(2-cyanophenyl)-3-methyl-1H-imidazol-3-ium iodide?
The molecular formula of 1-(2-cyanophenyl)-3-methyl-1H-imidazol-3-ium iodide is C11H10IN3.
What is the molecular weight of 1-(2-cyanophenyl)-3-methyl-1H-imidazol-3-ium iodide?
The molecular weight of 1-(2-cyanophenyl)-3-methyl-1H-imidazol-3-ium iodide is 310.99 g/mol.
Where can I buy 1-(2-cyanophenyl)-3-methyl-1H-imidazol-3-ium iodide?
You can request a quote for 1-(2-cyanophenyl)-3-methyl-1H-imidazol-3-ium iodide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(2-cyanophenyl)-3-methyl-1H-imidazol-3-ium iodide?
Yes, KEHONG BIO provides custom synthesis services for 1-(2-cyanophenyl)-3-methyl-1H-imidazol-3-ium iodide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.