methyl {3-[(4-tert-butylphenyl)methyl]-2-imino-2,3-dihydro-1H-benzimidazol-1-yl}acetate--hydrogen bromide (1/1)
Chemical Structure Depiction of
methyl {3-[(4-tert-butylphenyl)methyl]-2-imino-2,3-dihydro-1H-benzimidazol-1-yl}acetate--hydrogen bromide (1/1)
methyl {3-[(4-tert-butylphenyl)methyl]-2-imino-2,3-dihydro-1H-benzimidazol-1-yl}acetate--hydrogen bromide (1/1)
Compound characteristics
| Compound ID: | 2226-0416 |
| Compound Name: | methyl {3-[(4-tert-butylphenyl)methyl]-2-imino-2,3-dihydro-1H-benzimidazol-1-yl}acetate--hydrogen bromide (1/1) |
| Molecular Weight: | 432.36 |
| Molecular Formula: | C21 H25 N3 O2 |
| Salt: | HBr |
| Smiles: | CC(C)(C)c1ccc(CN2C(=N)N(CC(=O)OC)c3ccccc23)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.5518 |
| logD: | 3.9283 |
| logSw: | -4.2591 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 42.433 |
| InChI Key: | QPWAKLHKIWIKPJ-UHFFFAOYSA-N |