2-{[(1H-benzimidazol-2-yl)methyl]sulfanyl}-5-benzyl-6-methylpyrimidin-4(3H)-one
Chemical Structure Depiction of
2-{[(1H-benzimidazol-2-yl)methyl]sulfanyl}-5-benzyl-6-methylpyrimidin-4(3H)-one
2-{[(1H-benzimidazol-2-yl)methyl]sulfanyl}-5-benzyl-6-methylpyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | D058-0074 |
| Compound Name: | 2-{[(1H-benzimidazol-2-yl)methyl]sulfanyl}-5-benzyl-6-methylpyrimidin-4(3H)-one |
| Molecular Weight: | 362.45 |
| Molecular Formula: | C20 H18 N4 O S |
| Smiles: | CC1=C(Cc2ccccc2)C(NC(=N1)SCc1nc2ccccc2[nH]1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5559 |
| logD: | 3.4559 |
| logSw: | -3.8375 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 54.163 |
| InChI Key: | LNPOWCCJPTWBMQ-UHFFFAOYSA-N |