1-{3-[(cyclohex-3-en-1-yl)methoxy]-2-hydroxypropyl}-3,5,6-trimethyl-1H-benzimidazol-3-ium--iodide (1/1)
Chemical Structure Depiction of
1-{3-[(cyclohex-3-en-1-yl)methoxy]-2-hydroxypropyl}-3,5,6-trimethyl-1H-benzimidazol-3-ium--iodide (1/1)
1-{3-[(cyclohex-3-en-1-yl)methoxy]-2-hydroxypropyl}-3,5,6-trimethyl-1H-benzimidazol-3-ium--iodide (1/1)
Compound characteristics
| Compound ID: | 3910-0465 |
| Compound Name: | 1-{3-[(cyclohex-3-en-1-yl)methoxy]-2-hydroxypropyl}-3,5,6-trimethyl-1H-benzimidazol-3-ium--iodide (1/1) |
| Molecular Weight: | 456.37 |
| Molecular Formula: | C20 H29 N2 O2 |
| Salt: | I- |
| Smiles: | Cc1cc2c(cc1C)[n+](C)cn2CC(COCC1CCC=CC1)O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.0784 |
| logD: | 4.0784 |
| logSw: | -4.172 |
| Hydrogen bond acceptors count: | 2 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 29.2067 |
| InChI Key: | HLYUHARIZFXDFI-UHFFFAOYSA-N |