4-{1-[3-(2,6-dimethylphenoxy)-2-hydroxypropyl]-1H-benzimidazol-2-yl}-1-(prop-2-en-1-yl)pyrrolidin-2-one
Chemical Structure Depiction of
4-{1-[3-(2,6-dimethylphenoxy)-2-hydroxypropyl]-1H-benzimidazol-2-yl}-1-(prop-2-en-1-yl)pyrrolidin-2-one
4-{1-[3-(2,6-dimethylphenoxy)-2-hydroxypropyl]-1H-benzimidazol-2-yl}-1-(prop-2-en-1-yl)pyrrolidin-2-one
Compound characteristics
| Compound ID: | D510-1217 |
| Compound Name: | 4-{1-[3-(2,6-dimethylphenoxy)-2-hydroxypropyl]-1H-benzimidazol-2-yl}-1-(prop-2-en-1-yl)pyrrolidin-2-one |
| Molecular Weight: | 419.52 |
| Molecular Formula: | C25 H29 N3 O3 |
| Smiles: | Cc1cccc(C)c1OCC(Cn1c2ccccc2nc1C1CC(N(CC=C)C1)=O)O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.2054 |
| logD: | 4.2054 |
| logSw: | -4.3493 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.633 |
| InChI Key: | NVWOUTJNJBQBIU-UHFFFAOYSA-N |