3-[5-amino-4-(1-methyl-1H-benzimidazol-2-yl)-3-oxo-2,3-dihydro-1H-pyrrol-1-yl]-4-methylbenzoic acid
Chemical Structure Depiction of
3-[5-amino-4-(1-methyl-1H-benzimidazol-2-yl)-3-oxo-2,3-dihydro-1H-pyrrol-1-yl]-4-methylbenzoic acid
3-[5-amino-4-(1-methyl-1H-benzimidazol-2-yl)-3-oxo-2,3-dihydro-1H-pyrrol-1-yl]-4-methylbenzoic acid
Compound characteristics
| Compound ID: | D086-0440 |
| Compound Name: | 3-[5-amino-4-(1-methyl-1H-benzimidazol-2-yl)-3-oxo-2,3-dihydro-1H-pyrrol-1-yl]-4-methylbenzoic acid |
| Molecular Weight: | 362.39 |
| Molecular Formula: | C20 H18 N4 O3 |
| Smiles: | Cc1ccc(cc1N1CC(C(=C1N)c1nc2ccccc2n1C)=O)C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0268 |
| logD: | 0.759 |
| logSw: | -3.0944 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 75.817 |
| InChI Key: | BUYJZDLPOKAMJO-UHFFFAOYSA-N |