2-[({3-[5-methyl-2-(propan-2-yl)phenoxy]propyl}sulfanyl)methyl]-1H-benzimidazole
Chemical Structure Depiction of
2-[({3-[5-methyl-2-(propan-2-yl)phenoxy]propyl}sulfanyl)methyl]-1H-benzimidazole
2-[({3-[5-methyl-2-(propan-2-yl)phenoxy]propyl}sulfanyl)methyl]-1H-benzimidazole
Compound characteristics
| Compound ID: | D011-6169 |
| Compound Name: | 2-[({3-[5-methyl-2-(propan-2-yl)phenoxy]propyl}sulfanyl)methyl]-1H-benzimidazole |
| Molecular Weight: | 390.97 |
| Molecular Formula: | C21 H26 N2 O S |
| Salt: | HCl |
| Smiles: | CC(C)c1ccc(C)cc1OCCCSCc1nc2ccccc2[nH]1 |
| Stereo: | ACHIRAL |
| logP: | 6.1128 |
| logD: | 6.1045 |
| logSw: | -5.4296 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 27.7528 |
| InChI Key: | QANUDVXKGPXMRU-UHFFFAOYSA-N |