4-{1-[3-(2,5-dimethylphenoxy)-2-hydroxypropyl]-1H-benzimidazol-2-yl}-1-(prop-2-en-1-yl)pyrrolidin-2-one
Chemical Structure Depiction of
4-{1-[3-(2,5-dimethylphenoxy)-2-hydroxypropyl]-1H-benzimidazol-2-yl}-1-(prop-2-en-1-yl)pyrrolidin-2-one
4-{1-[3-(2,5-dimethylphenoxy)-2-hydroxypropyl]-1H-benzimidazol-2-yl}-1-(prop-2-en-1-yl)pyrrolidin-2-one
Compound characteristics
| Compound ID: | D510-1216 |
| Compound Name: | 4-{1-[3-(2,5-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: | Cc1ccc(C)c(c1)OCC(Cn1c2ccccc2nc1C1CC(N(CC=C)C1)=O)O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.3496 |
| logD: | 4.3496 |
| logSw: | -4.4052 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.546 |
| InChI Key: | PNMOONNAJHXUDH-UHFFFAOYSA-N |