TL;DR: 1h-Benzimidazol-2-yl(3-chloroquinoxalin-2-yl)acetonitrile (CAS 120340-82-1) is a chemical compound with molecular formula C17H10ClN5 and molecular weight 319.06247 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(1H-benzimidazol-2-yl)-2-(3-chloroquinoxalin-2-yl)acetonitrile
Also Known As: 1h-benzimidazol-2-yl(3-chloroquinoxalin-2-yl)acetonitrile, 2-(1H-benzimidazol-2-yl)-2-(3-chloroquinoxalin-2-yl)acetonitrile, (1H-BENZOIMIDAZOL-2-YL)-(3-CHLORO-QUINOXALIN-2-YL)-ACETONITRILE, 2-Quinoxalineacetonitrile, alpha-1H-benzimidazol-2-yl-3-chloro-, F96830
| Molecular Formula | C17H10ClN5 |
| Molecular Weight | 319.06247 g/mol |
| XLogP | 3.2 |
| Topological Polar Surface Area (TPSA) | 78.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 319.06247 Da |
| Heavy Atoms | 23 |
| Complexity | 477.0 |
| SMILES | C1=CC=C2C(=C1)NC(=N2)C(C#N)C3=NC4=CC=CC=C4N=C3Cl |
| InChIKey | CONGDXLVGSDCKY-UHFFFAOYSA-N |
The XLogP value of 3.2 indicates that 1h-Benzimidazol-2-yl(3-chloroquinoxalin-2-yl)acetonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 1h-Benzimidazol-2-yl(3-chloroquinoxalin-2-yl)acetonitrile. Following Lipinski's Rule of Five, 1h-Benzimidazol-2-yl(3-chloroquinoxalin-2-yl)acetonitrile has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 1h-Benzimidazol-2-yl(3-chloroquinoxalin-2-yl)acetonitrile is 120340-82-1.
The molecular formula of 1h-Benzimidazol-2-yl(3-chloroquinoxalin-2-yl)acetonitrile is C17H10ClN5.
The molecular weight of 1h-Benzimidazol-2-yl(3-chloroquinoxalin-2-yl)acetonitrile is 319.06247 g/mol.
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