3-(1,3,6-trimethyl-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)propanoic acid
Chemical Structure Depiction of
3-(1,3,6-trimethyl-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)propanoic acid
3-(1,3,6-trimethyl-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)propanoic acid
Compound characteristics
| Compound ID: | Y043-8231 |
| Compound Name: | 3-(1,3,6-trimethyl-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)propanoic acid |
| Molecular Weight: | 248.28 |
| Molecular Formula: | C13 H16 N2 O3 |
| Smiles: | Cc1cc2c(cc1CCC(O)=O)N(C)C(N2C)=O |
| Stereo: | ACHIRAL |
| logP: | 1.6587 |
| logD: | -1.1422 |
| logSw: | -1.5029 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.307 |
| InChI Key: | UAKHWKDRILIAOP-UHFFFAOYSA-N |