4-{[(1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)methyl]amino}benzoic acid
Chemical Structure Depiction of
4-{[(1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)methyl]amino}benzoic acid
4-{[(1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)methyl]amino}benzoic acid
Compound characteristics
| Compound ID: | D664-0131 |
| Compound Name: | 4-{[(1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)methyl]amino}benzoic acid |
| Molecular Weight: | 311.34 |
| Molecular Formula: | C17 H17 N3 O3 |
| Smiles: | CN1C(N(C)c2cc(CNc3ccc(cc3)C(O)=O)ccc12)=O |
| Stereo: | ACHIRAL |
| logP: | 2.555 |
| logD: | 0.1598 |
| logSw: | -2.6106 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 56.566 |
| InChI Key: | MYYBDOQAPQNZMB-UHFFFAOYSA-N |