2-{3-[(4-tert-butylphenyl)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-tert-butylphenyl)methyl]-2-imino-2,3-dihydro-1H-benzimidazol-1-yl}-1-(4-nitrophenyl)ethan-1-one--hydrogen bromide (1/1)
2-{3-[(4-tert-butylphenyl)methyl]-2-imino-2,3-dihydro-1H-benzimidazol-1-yl}-1-(4-nitrophenyl)ethan-1-one--hydrogen bromide (1/1)
Compound characteristics
| Compound ID: | 3260-0351 |
| Compound Name: | 2-{3-[(4-tert-butylphenyl)methyl]-2-imino-2,3-dihydro-1H-benzimidazol-1-yl}-1-(4-nitrophenyl)ethan-1-one--hydrogen bromide (1/1) |
| Molecular Weight: | 523.43 |
| Molecular Formula: | C26 H26 N4 O3 |
| Salt: | HBr |
| Smiles: | CC(C)(C)c1ccc(CN2C(=N)N(CC(c3ccc(cc3)[N+]([O-])=O)=O)c3ccccc23)cc1 |
| Stereo: | ACHIRAL |
| logP: | 5.93 |
| logD: | 4.8077 |
| logSw: | -5.5245 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.211 |
| InChI Key: | NGEREHMUXGOSEK-UHFFFAOYSA-N |