2-{3-[(4-chlorophenyl)methyl]-2-imino-2,3-dihydro-1H-benzimidazol-1-yl}-1-(4-nitrophenyl)ethan-1-one--hydrogen bromide (1/1)
Chemical Structure Depiction of
2-{3-[(4-chlorophenyl)methyl]-2-imino-2,3-dihydro-1H-benzimidazol-1-yl}-1-(4-nitrophenyl)ethan-1-one--hydrogen bromide (1/1)
2-{3-[(4-chlorophenyl)methyl]-2-imino-2,3-dihydro-1H-benzimidazol-1-yl}-1-(4-nitrophenyl)ethan-1-one--hydrogen bromide (1/1)
Compound characteristics
| Compound ID: | 3260-0350 |
| Compound Name: | 2-{3-[(4-chlorophenyl)methyl]-2-imino-2,3-dihydro-1H-benzimidazol-1-yl}-1-(4-nitrophenyl)ethan-1-one--hydrogen bromide (1/1) |
| Molecular Weight: | 501.77 |
| Molecular Formula: | C22 H17 Cl N4 O3 |
| Salt: | HBr |
| Smiles: | C(C(c1ccc(cc1)[N+]([O-])=O)=O)N1C(=N)N(Cc2ccc(cc2)[Cl])c2ccccc12 |
| Stereo: | ACHIRAL |
| logP: | 4.7303 |
| logD: | 3.608 |
| logSw: | -5.1194 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.211 |
| InChI Key: | CRQPWVDVPSXOAH-UHFFFAOYSA-N |