2-{2-[(3-hydroxypropyl)amino]-1H-benzimidazol-1-yl}-1-(4-nitrophenyl)ethan-1-one--hydrogen bromide (1/1)
Chemical Structure Depiction of
2-{2-[(3-hydroxypropyl)amino]-1H-benzimidazol-1-yl}-1-(4-nitrophenyl)ethan-1-one--hydrogen bromide (1/1)
2-{2-[(3-hydroxypropyl)amino]-1H-benzimidazol-1-yl}-1-(4-nitrophenyl)ethan-1-one--hydrogen bromide (1/1)
Compound characteristics
| Compound ID: | 3260-0132 |
| Compound Name: | 2-{2-[(3-hydroxypropyl)amino]-1H-benzimidazol-1-yl}-1-(4-nitrophenyl)ethan-1-one--hydrogen bromide (1/1) |
| Molecular Weight: | 435.28 |
| Molecular Formula: | C18 H18 N4 O4 |
| Salt: | HBr |
| Smiles: | C(CNc1nc2ccccc2n1CC(c1ccc(cc1)[N+]([O-])=O)=O)CO |
| Stereo: | ACHIRAL |
| logP: | 2.2599 |
| logD: | 2.2578 |
| logSw: | -2.6834 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 85.706 |
| InChI Key: | GFEKXGKKHDYWBS-UHFFFAOYSA-N |