2-chloro-4-{[(1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)methyl]amino}benzoic acid
Chemical Structure Depiction of
2-chloro-4-{[(1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)methyl]amino}benzoic acid
2-chloro-4-{[(1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)methyl]amino}benzoic acid
Compound characteristics
| Compound ID: | D664-0088 |
| Compound Name: | 2-chloro-4-{[(1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)methyl]amino}benzoic acid |
| Molecular Weight: | 345.78 |
| Molecular Formula: | C17 H16 Cl N3 O3 |
| Smiles: | CN1C(N(C)c2cc(CNc3ccc(C(O)=O)c(c3)[Cl])ccc12)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9427 |
| logD: | -0.3687 |
| logSw: | -3.3831 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 56.566 |
| InChI Key: | IAUKSPWRAZZUJR-UHFFFAOYSA-N |