methyl 1-(1H-benzimidazol-2-yl)-5-oxo-2,5-dihydro-1H-pyrazole-3-carboxylate
Chemical Structure Depiction of
methyl 1-(1H-benzimidazol-2-yl)-5-oxo-2,5-dihydro-1H-pyrazole-3-carboxylate
methyl 1-(1H-benzimidazol-2-yl)-5-oxo-2,5-dihydro-1H-pyrazole-3-carboxylate
Compound characteristics
| Compound ID: | 8018-3220 |
| Compound Name: | methyl 1-(1H-benzimidazol-2-yl)-5-oxo-2,5-dihydro-1H-pyrazole-3-carboxylate |
| Molecular Weight: | 258.23 |
| Molecular Formula: | C12 H10 N4 O3 |
| Smiles: | COC(C1=CC(N(c2nc3ccccc3[nH]2)N1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.9256 |
| logD: | 0.8136 |
| logSw: | -1.7729 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 69.264 |
| InChI Key: | OHZKACYDVBTBCD-UHFFFAOYSA-N |