1-{3-[(cyclohex-3-en-1-yl)methoxy]-2-hydroxypropyl}-2-ethyl-3-methyl-1H-benzimidazol-3-ium--iodide (1/1)
Chemical Structure Depiction of
1-{3-[(cyclohex-3-en-1-yl)methoxy]-2-hydroxypropyl}-2-ethyl-3-methyl-1H-benzimidazol-3-ium--iodide (1/1)
1-{3-[(cyclohex-3-en-1-yl)methoxy]-2-hydroxypropyl}-2-ethyl-3-methyl-1H-benzimidazol-3-ium--iodide (1/1)
Compound characteristics
| Compound ID: | 5491-0357 |
| Compound Name: | 1-{3-[(cyclohex-3-en-1-yl)methoxy]-2-hydroxypropyl}-2-ethyl-3-methyl-1H-benzimidazol-3-ium--iodide (1/1) |
| Molecular Weight: | 456.37 |
| Molecular Formula: | C20 H29 N2 O2 |
| Salt: | I- |
| Smiles: | CCc1n(CC(COCC2CCC=CC2)O)c2ccccc2[n+]1C |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.9307 |
| logD: | 3.9307 |
| logSw: | -3.9619 |
| Hydrogen bond acceptors count: | 2 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 28.9194 |
| InChI Key: | DNWJWTMARZAQCW-UHFFFAOYSA-N |