1,3-diethyl-2-methyl-5-(trifluoromethanesulfonyl)-1H-benzimidazol-3-ium--iodide (1/1)
Chemical Structure Depiction of
1,3-diethyl-2-methyl-5-(trifluoromethanesulfonyl)-1H-benzimidazol-3-ium--iodide (1/1)
1,3-diethyl-2-methyl-5-(trifluoromethanesulfonyl)-1H-benzimidazol-3-ium--iodide (1/1)
Compound characteristics
| Compound ID: | 1365-0275 |
| Compound Name: | 1,3-diethyl-2-methyl-5-(trifluoromethanesulfonyl)-1H-benzimidazol-3-ium--iodide (1/1) |
| Molecular Weight: | 448.24 |
| Molecular Formula: | C13 H16 F3 N2 O2 S |
| Salt: | I- |
| Smiles: | CCn1c2ccc(cc2[n+](CC)c1C)S(C(F)(F)F)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6632 |
| logD: | 3.6632 |
| logSw: | -3.8623 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 33.336 |
| InChI Key: | SPCZLBSWEQQCDW-UHFFFAOYSA-N |