4-[5-amino-4-(1-methyl-1H-benzimidazol-2-yl)-3-oxo-2,3-dihydro-1H-pyrrol-1-yl]benzoic acid
Chemical Structure Depiction of
4-[5-amino-4-(1-methyl-1H-benzimidazol-2-yl)-3-oxo-2,3-dihydro-1H-pyrrol-1-yl]benzoic acid
4-[5-amino-4-(1-methyl-1H-benzimidazol-2-yl)-3-oxo-2,3-dihydro-1H-pyrrol-1-yl]benzoic acid
Compound characteristics
| Compound ID: | D086-0478 |
| Compound Name: | 4-[5-amino-4-(1-methyl-1H-benzimidazol-2-yl)-3-oxo-2,3-dihydro-1H-pyrrol-1-yl]benzoic acid |
| Molecular Weight: | 348.36 |
| Molecular Formula: | C19 H16 N4 O3 |
| Smiles: | Cn1c2ccccc2nc1C1=C(N)N(CC1=O)c1ccc(cc1)C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4595 |
| logD: | 0.0643 |
| logSw: | -2.6159 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 76.118 |
| InChI Key: | MRXKAIFRKGDYMF-UHFFFAOYSA-N |