2-{[2-nitro-5-(pyrrolidin-1-yl)phenyl]sulfanyl}-1H-benzimidazole
Chemical Structure Depiction of
2-{[2-nitro-5-(pyrrolidin-1-yl)phenyl]sulfanyl}-1H-benzimidazole
2-{[2-nitro-5-(pyrrolidin-1-yl)phenyl]sulfanyl}-1H-benzimidazole
Compound characteristics
| Compound ID: | 2023-0416 |
| Compound Name: | 2-{[2-nitro-5-(pyrrolidin-1-yl)phenyl]sulfanyl}-1H-benzimidazole |
| Molecular Weight: | 340.4 |
| Molecular Formula: | C17 H16 N4 O2 S |
| Smiles: | C1CCN(C1)c1ccc(c(c1)Sc1nc2ccccc2[nH]1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 4.0657 |
| logD: | 4.0578 |
| logSw: | -4.3096 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.879 |
| InChI Key: | BVMWTMUSHQLPPU-UHFFFAOYSA-N |