1-[3-(methylsulfanyl)phenyl]-4-[1-(prop-2-yn-1-yl)-1H-benzimidazol-2-yl]pyrrolidin-2-one
Chemical Structure Depiction of
1-[3-(methylsulfanyl)phenyl]-4-[1-(prop-2-yn-1-yl)-1H-benzimidazol-2-yl]pyrrolidin-2-one
1-[3-(methylsulfanyl)phenyl]-4-[1-(prop-2-yn-1-yl)-1H-benzimidazol-2-yl]pyrrolidin-2-one
Compound characteristics
| Compound ID: | C630-0500 |
| Compound Name: | 1-[3-(methylsulfanyl)phenyl]-4-[1-(prop-2-yn-1-yl)-1H-benzimidazol-2-yl]pyrrolidin-2-one |
| Molecular Weight: | 361.46 |
| Molecular Formula: | C21 H19 N3 O S |
| Smiles: | CSc1cccc(c1)N1CC(CC1=O)c1nc2ccccc2n1CC#C |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.0367 |
| logD: | 4.0366 |
| logSw: | -4.1653 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 26.8953 |
| InChI Key: | XBBRXIVLYUIKGF-OAHLLOKOSA-N |