2-acetyl-3-{[2-(1H-benzimidazol-2-yl)ethyl]amino}cyclohex-2-en-1-one
Chemical Structure Depiction of
2-acetyl-3-{[2-(1H-benzimidazol-2-yl)ethyl]amino}cyclohex-2-en-1-one
2-acetyl-3-{[2-(1H-benzimidazol-2-yl)ethyl]amino}cyclohex-2-en-1-one
Compound characteristics
| Compound ID: | 8016-1997 |
| Compound Name: | 2-acetyl-3-{[2-(1H-benzimidazol-2-yl)ethyl]amino}cyclohex-2-en-1-one |
| Molecular Weight: | 297.35 |
| Molecular Formula: | C17 H19 N3 O2 |
| Smiles: | CC(C1=C(CCCC1=O)NCCc1nc2ccccc2[nH]1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.7886 |
| logD: | 1.7486 |
| logSw: | -2.0422 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 57.672 |
| InChI Key: | TZHHQUIOLMZCJX-UHFFFAOYSA-N |