2-[2-imino-3-(prop-2-en-1-yl)-2,3-dihydro-1H-benzimidazol-1-yl]-1-(4-nitrophenyl)ethan-1-one--hydrogen bromide (1/1)
Chemical Structure Depiction of
2-[2-imino-3-(prop-2-en-1-yl)-2,3-dihydro-1H-benzimidazol-1-yl]-1-(4-nitrophenyl)ethan-1-one--hydrogen bromide (1/1)
2-[2-imino-3-(prop-2-en-1-yl)-2,3-dihydro-1H-benzimidazol-1-yl]-1-(4-nitrophenyl)ethan-1-one--hydrogen bromide (1/1)
Compound characteristics
| Compound ID: | 3260-0347 |
| Compound Name: | 2-[2-imino-3-(prop-2-en-1-yl)-2,3-dihydro-1H-benzimidazol-1-yl]-1-(4-nitrophenyl)ethan-1-one--hydrogen bromide (1/1) |
| Molecular Weight: | 417.26 |
| Molecular Formula: | C18 H16 N4 O3 |
| Salt: | HBr |
| Smiles: | C=CCN1C(=N)N(CC(c2ccc(cc2)[N+]([O-])=O)=O)c2ccccc12 |
| Stereo: | ACHIRAL |
| logP: | 3.0195 |
| logD: | 2.361 |
| logSw: | -3.5989 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.461 |
| InChI Key: | JNSADBQVHSTMQE-UHFFFAOYSA-N |