3-{[2-(1H-benzimidazol-2-yl)ethyl]amino}-2-propanoylcyclohex-2-en-1-one
Chemical Structure Depiction of
3-{[2-(1H-benzimidazol-2-yl)ethyl]amino}-2-propanoylcyclohex-2-en-1-one
3-{[2-(1H-benzimidazol-2-yl)ethyl]amino}-2-propanoylcyclohex-2-en-1-one
Compound characteristics
| Compound ID: | 8016-2388 |
| Compound Name: | 3-{[2-(1H-benzimidazol-2-yl)ethyl]amino}-2-propanoylcyclohex-2-en-1-one |
| Molecular Weight: | 311.38 |
| Molecular Formula: | C18 H21 N3 O2 |
| Smiles: | CCC(C1=C(CCCC1=O)NCCc1nc2ccccc2[nH]1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2627 |
| logD: | 2.2237 |
| logSw: | -2.6121 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 57.092 |
| InChI Key: | CANWRCHVDARGEV-UHFFFAOYSA-N |