3-{[(1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)methyl]amino}-4-methylbenzoic acid
Chemical Structure Depiction of
3-{[(1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)methyl]amino}-4-methylbenzoic acid
3-{[(1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)methyl]amino}-4-methylbenzoic acid
Compound characteristics
| Compound ID: | D664-0085 |
| Compound Name: | 3-{[(1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)methyl]amino}-4-methylbenzoic acid |
| Molecular Weight: | 325.37 |
| Molecular Formula: | C18 H19 N3 O3 |
| Smiles: | Cc1ccc(cc1NCc1ccc2c(c1)N(C)C(N2C)=O)C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9808 |
| logD: | 0.5173 |
| logSw: | -2.9408 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 55.868 |
| InChI Key: | QPXYLAJBVUKTDL-UHFFFAOYSA-N |