3-{[(1H-benzimidazol-2-yl)methyl]sulfanyl}propanenitrile
Chemical Structure Depiction of
3-{[(1H-benzimidazol-2-yl)methyl]sulfanyl}propanenitrile
3-{[(1H-benzimidazol-2-yl)methyl]sulfanyl}propanenitrile
Compound characteristics
| Compound ID: | Y040-6857 |
| Compound Name: | 3-{[(1H-benzimidazol-2-yl)methyl]sulfanyl}propanenitrile |
| Molecular Weight: | 217.29 |
| Molecular Formula: | C11 H11 N3 S |
| Smiles: | C(CSCc1nc2ccccc2[nH]1)C#N |
| Stereo: | ACHIRAL |
| logP: | 1.9739 |
| logD: | 1.9641 |
| logSw: | -1.9339 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 38.012 |
| InChI Key: | VEOMHADJBHJIRC-UHFFFAOYSA-N |