3-[4-(2,4-dipentylphenoxy)butyl]-1-methyl-1H-benzimidazol-3-ium--bromide (1/1)
Chemical Structure Depiction of
3-[4-(2,4-dipentylphenoxy)butyl]-1-methyl-1H-benzimidazol-3-ium--bromide (1/1)
3-[4-(2,4-dipentylphenoxy)butyl]-1-methyl-1H-benzimidazol-3-ium--bromide (1/1)
Compound characteristics
| Compound ID: | 0126-0245 |
| Compound Name: | 3-[4-(2,4-dipentylphenoxy)butyl]-1-methyl-1H-benzimidazol-3-ium--bromide (1/1) |
| Molecular Weight: | 501.55 |
| Molecular Formula: | C28 H41 N2 O |
| Salt: | Br- |
| Smiles: | CCCCCc1ccc(c(CCCCC)c1)OCCCC[n+]1cn(C)c2ccccc12 |
| Stereo: | ACHIRAL |
| logP: | 8.6517 |
| logD: | 8.6517 |
| logSw: | -5.664 |
| Hydrogen bond acceptors count: | 1 |
| Polar surface area: | 11.4435 |
| InChI Key: | KUWLFDZTHNPWFA-UHFFFAOYSA-N |