methyl 4-[5-amino-4-(6-methyl-1H-benzimidazol-2-yl)-3-oxo-2,3-dihydro-1H-pyrrol-1-yl]benzoate--hydrogen chloride (1/1)
Chemical Structure Depiction of
methyl 4-[5-amino-4-(6-methyl-1H-benzimidazol-2-yl)-3-oxo-2,3-dihydro-1H-pyrrol-1-yl]benzoate--hydrogen chloride (1/1)
methyl 4-[5-amino-4-(6-methyl-1H-benzimidazol-2-yl)-3-oxo-2,3-dihydro-1H-pyrrol-1-yl]benzoate--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | D086-0196 |
| Compound Name: | methyl 4-[5-amino-4-(6-methyl-1H-benzimidazol-2-yl)-3-oxo-2,3-dihydro-1H-pyrrol-1-yl]benzoate--hydrogen chloride (1/1) |
| Molecular Weight: | 398.85 |
| Molecular Formula: | C20 H18 N4 O3 |
| Salt: | HCl |
| Smiles: | Cc1ccc2c(c1)[nH]c(C1=C(N)N(CC1=O)c1ccc(cc1)C(=O)OC)n2 |
| Stereo: | ACHIRAL |
| logP: | 3.0293 |
| logD: | 3.0293 |
| logSw: | -3.2732 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 77.164 |
| InChI Key: | IGXOLEAQPQSPJB-UHFFFAOYSA-N |