2-{2-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-oxoethyl}-5,6,7,8-tetrahydrocinnolin-3(2H)-one
Chemical Structure Depiction of
2-{2-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-oxoethyl}-5,6,7,8-tetrahydrocinnolin-3(2H)-one
2-{2-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-oxoethyl}-5,6,7,8-tetrahydrocinnolin-3(2H)-one
Compound characteristics
| Compound ID: | J103-0305 |
| Compound Name: | 2-{2-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-oxoethyl}-5,6,7,8-tetrahydrocinnolin-3(2H)-one |
| Molecular Weight: | 391.47 |
| Molecular Formula: | C22 H25 N5 O2 |
| Smiles: | C1CCC2C(C1)=CC(N(CC(N1CCC(CC1)c1nc3ccccc3[nH]1)=O)N=2)=O |
| Stereo: | ACHIRAL |
| logP: | 1.8837 |
| logD: | 1.8766 |
| logSw: | -2.4077 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.645 |
| InChI Key: | IXKHJBUCXHUSOO-UHFFFAOYSA-N |