HuagongsheHuagongshe Chemistry Print Report · For research reference only
2-(1H-benzimidazol-2-ylsulfanyl)-N-(3-chloro-2-methylphenyl)acetamide
Acetamide, 2-(1H-benzimidazol-2-ylthio)-N-(3-chloro-2-methylphenyl)- · 2-(1H-benzimidazol-2-ylsulfanyl)-N-(3-chloro-2-methylphenyl)acetamide

Identifiers & Physical Properties
| CAS No. | 362005-15-0 |
|---|---|
| Molecular formula | C16H14ClN3OS |
| Average molar mass | 331.8 g/mol |
| SMILES | Cc1c(Cl)cccc1NC(=O)CSc1nc2ccccc2[nH]1 |
| InChIKey | BOIRCGBYRPDJFB-UHFFFAOYSA-N |
Chemical & Physical Properties
| XLogP | 4.2 |
|---|---|
| Topological polar surface area | 83.1 |
| Hydrogen bond donors | 2 |
| Hydrogen bond acceptors | 3 |
| Rotatable bonds | 4 |
| Heavy atoms | 22 |
| Formal charge | 0 |
| Complexity | 398 |
| Density | 1.41±0.1 g/cm3(Predicted) |
| pKa (acidity coefficient) | 10.60±0.10(Predicted) |