1H-Imidazole-4-acetonitrile, 5-methyl-2-phenyl-, monohydrochloride
TL;DR: 1H-Imidazole-4-acetonitrile, 5-methyl-2-phenyl-, monohydrochloride (CAS 110785-28-9) is a chemical compound with molecular formula C12H12ClN3 and molecular weight 233.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(5-methyl-2-phenyl-1H-imidazol-4-yl)acetonitrile;hydrochloride
Also Known As: KST-1A0540, Phenol,2-[3-(trimethylsilyl)propoxy], 1H-Imidazole-4-acetonitrile, 5-methyl-2-phenyl-, monohydrochloride, (5-methyl-2-phenyl-1h-imidazol-4-yl)acetonitrile hydrochloride(1:1), 2-(4-Methyl-2-phenyl-1H-imidazol-5-yl)acetonitrile hydrochloride
| Molecular Formula | C12H12ClN3 |
|---|---|
| Molecular Weight | 233.07 g/mol |
| LogP | 2.873 |
| Topological Polar Surface Area | 52.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 233.07198 |
| Heavy Atoms | 16 |
| Complexity | 249.0 |
Chemical Identifiers
| CAS Number | 110785-28-9 |
|---|---|
| SMILES | CC1=C(N=C(N1)C2=CC=CC=C2)CC#N.Cl |
| InChIKey | AEWQZRUZPLJFAS-UHFFFAOYSA-N |
Product Overview
1H-Imidazole-4-acetonitrile, 5-methyl-2-phenyl-, monohydrochloride (CAS 110785-28-9), with molecular formula C12H12ClN3 and molecular weight 233.07 g/mol. IUPAC: 2-(5-methyl-2-phenyl-1H-imidazol-4-yl)acetonitrile;hydrochloride.
Chemical Property Profile of 1H-Imidazole-4-acetonitrile, 5-methyl-2-phenyl-, monohydrochloride
Property Insights of 1H-Imidazole-4-acetonitrile, 5-methyl-2-phenyl-, monohydrochloride
The XLogP value of 2.873 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-Imidazole-4-acetonitrile, 5-methyl-2-phenyl-, monohydrochloride. With a topological polar surface area (TPSA) of 52.5 Ų, 1H-Imidazole-4-acetonitrile, 5-methyl-2-phenyl-, monohydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1H-Imidazole-4-acetonitrile, 5-methyl-2-phenyl-, monohydrochloride has 2 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 1H-Imidazole-4-acetonitrile, 5-methyl-2-phenyl-, monohydrochloride?
The CAS number of 1H-Imidazole-4-acetonitrile, 5-methyl-2-phenyl-, monohydrochloride is 110785-28-9.
What is the molecular formula of 1H-Imidazole-4-acetonitrile, 5-methyl-2-phenyl-, monohydrochloride?
The molecular formula of 1H-Imidazole-4-acetonitrile, 5-methyl-2-phenyl-, monohydrochloride is C12H12ClN3.
What is the molecular weight of 1H-Imidazole-4-acetonitrile, 5-methyl-2-phenyl-, monohydrochloride?
The molecular weight of 1H-Imidazole-4-acetonitrile, 5-methyl-2-phenyl-, monohydrochloride is 233.07 g/mol.
Where can I buy 1H-Imidazole-4-acetonitrile, 5-methyl-2-phenyl-, monohydrochloride?
You can request a quote for 1H-Imidazole-4-acetonitrile, 5-methyl-2-phenyl-, monohydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-Imidazole-4-acetonitrile, 5-methyl-2-phenyl-, monohydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 1H-Imidazole-4-acetonitrile, 5-methyl-2-phenyl-, monohydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.