3-[2-(4-tert-butylphenyl)-2-oxoethyl]-1,2-dimethyl-1H-benzimidazol-3-ium--bromide (1/1)
Chemical Structure Depiction of
3-[2-(4-tert-butylphenyl)-2-oxoethyl]-1,2-dimethyl-1H-benzimidazol-3-ium--bromide (1/1)
3-[2-(4-tert-butylphenyl)-2-oxoethyl]-1,2-dimethyl-1H-benzimidazol-3-ium--bromide (1/1)
Compound characteristics
| Compound ID: | 3346-4639 |
| Compound Name: | 3-[2-(4-tert-butylphenyl)-2-oxoethyl]-1,2-dimethyl-1H-benzimidazol-3-ium--bromide (1/1) |
| Molecular Weight: | 401.35 |
| Molecular Formula: | C21 H25 N2 O |
| Salt: | Br- |
| Smiles: | Cc1n(C)c2ccccc2[n+]1CC(c1ccc(cc1)C(C)(C)C)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6464 |
| logD: | 4.6464 |
| logSw: | -4.4097 |
| Hydrogen bond acceptors count: | 2 |
| Polar surface area: | 17.8997 |
| InChI Key: | JSHKKSGQFCBUSK-UHFFFAOYSA-N |