2-{[(2-chloro-5-nitrophenyl)methyl]sulfanyl}-5,6-dimethyl-1H-benzimidazole
Chemical Structure Depiction of
2-{[(2-chloro-5-nitrophenyl)methyl]sulfanyl}-5,6-dimethyl-1H-benzimidazole
2-{[(2-chloro-5-nitrophenyl)methyl]sulfanyl}-5,6-dimethyl-1H-benzimidazole
Compound characteristics
| Compound ID: | 8014-3098 |
| Compound Name: | 2-{[(2-chloro-5-nitrophenyl)methyl]sulfanyl}-5,6-dimethyl-1H-benzimidazole |
| Molecular Weight: | 347.82 |
| Molecular Formula: | C16 H14 Cl N3 O2 S |
| Smiles: | Cc1cc2c(cc1C)[nH]c(n2)SCc1cc(ccc1[Cl])[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 5.1932 |
| logD: | 5.1781 |
| logSw: | -5.6881 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.361 |
| InChI Key: | TUELDSNEKPJXJM-UHFFFAOYSA-N |