1H-Imidazole-1-propanenitrile, 2-phenyl-
TL;DR: 1H-Imidazole-1-propanenitrile, 2-phenyl- (CAS 23996-12-5) is a chemical compound with molecular formula C12H11N3 and molecular weight 197.09529 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(2-phenylimidazol-1-yl)propanenitrile
Also Known As: 3-(2-phenyl-1h-imidazol-1-yl)propanenitrile, 1-(2-Cyanoethyl)-2-phenylimidazole, 1H-Imidazole-1-propanenitrile, 2-phenyl-, 3-(2-phenylimidazol-1-yl)propanenitrile, 1-CYANOETHYL-2-PHENYLIMIDAZOLE
Application Areas
Top 5 of 12 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C12H11N3 |
| Molecular Weight | 197.09529 g/mol |
| XLogP | 1.3 |
| Topological Polar Surface Area (TPSA) | 41.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 197.09529 Da |
| Heavy Atoms | 15 |
| Complexity | 236.0 |
| SMILES | C1=CC=C(C=C1)C2=NC=CN2CCC#N |
| InChIKey | BVYPJEBKDLFIDL-UHFFFAOYSA-N |
Chemical Property Profile of 1H-Imidazole-1-propanenitrile, 2-phenyl-
Property Insights of 1H-Imidazole-1-propanenitrile, 2-phenyl-
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-Imidazole-1-propanenitrile, 2-phenyl-. With a topological polar surface area (TPSA) of 41.6 Ų, 1H-Imidazole-1-propanenitrile, 2-phenyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1H-Imidazole-1-propanenitrile, 2-phenyl- has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 1H-Imidazole-1-propanenitrile, 2-phenyl-?
The CAS number of 1H-Imidazole-1-propanenitrile, 2-phenyl- is 23996-12-5.
What is the molecular formula of 1H-Imidazole-1-propanenitrile, 2-phenyl-?
The molecular formula of 1H-Imidazole-1-propanenitrile, 2-phenyl- is C12H11N3.
What is the molecular weight of 1H-Imidazole-1-propanenitrile, 2-phenyl-?
The molecular weight of 1H-Imidazole-1-propanenitrile, 2-phenyl- is 197.09529 g/mol.
Where can I buy 1H-Imidazole-1-propanenitrile, 2-phenyl-?
You can request a quote for 1H-Imidazole-1-propanenitrile, 2-phenyl- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1H-Imidazole-1-propanenitrile, 2-phenyl-?
Yes, CoreyChem provides custom synthesis services for 1H-Imidazole-1-propanenitrile, 2-phenyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.