2-acetyl-3-{[(1H-benzimidazol-2-yl)methyl]amino}-5,5-dimethylcyclohex-2-en-1-one
Chemical Structure Depiction of
2-acetyl-3-{[(1H-benzimidazol-2-yl)methyl]amino}-5,5-dimethylcyclohex-2-en-1-one
2-acetyl-3-{[(1H-benzimidazol-2-yl)methyl]amino}-5,5-dimethylcyclohex-2-en-1-one
Compound characteristics
| Compound ID: | 8016-2003 |
| Compound Name: | 2-acetyl-3-{[(1H-benzimidazol-2-yl)methyl]amino}-5,5-dimethylcyclohex-2-en-1-one |
| Molecular Weight: | 311.38 |
| Molecular Formula: | C18 H21 N3 O2 |
| Smiles: | CC(C1=C(CC(C)(C)CC1=O)NCc1nc2ccccc2[nH]1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3407 |
| logD: | 1.1399 |
| logSw: | -2.6234 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 57.83 |
| InChI Key: | GIICUIROCRKTQC-UHFFFAOYSA-N |