1-methyl-3-[[4-[4-[(3-methylimidazol-3-ium-1-yl)methyl]phenyl]phenyl]methyl]imidazol-1-ium | SBID = 403 | Compound |
Structure
Molecular Properties
| Interactions: | 7 | ||
| PubChem TPSA/Å2: | 17.6 | ||
| Ertl TPSA/Å2: | |||
| Hydrophilicity (PubChem XLogP): | 3.2 | ||
| Hydrophilicity (Cheng XLogP3): | |||
| Charge: | 2.0 | ||
| Number of H-Bond Donors: | 0.0 | ||
| Number of H-Bond Acceptors: | 0.0 | ||
| Number of Stereogenic Bonds (E/Z): | 0.0 | ||
| Number of Stereogenic Atoms (R/S): | 0.0 | ||
| 3D Volume/Å3: | 283.8 | ||
| Sum Formula: | C22H24N4+2 | ||
| M / g/mol: | 344.462 | ||
| Complexity: | 386.0 | ||
| Number of Conformers: | 10.0 |
Identifiers
- Tags: aromatic, cation, typical guest, charged
- Name: 1-methyl-3-[[4-[4-[(3-methylimidazol-3-ium-1-yl)methyl]phenyl]phenyl]methyl]imidazol-1-ium
- Preferred Abbreviation: 1-methyl-3-[[4-[4-[(3-methylimidazol-3-ium-1-yl)methyl]phenyl]phenyl]methyl]imidazol-1-ium
- IUPAC Name: 1-methyl-3-[[4-[4-[(3-methylimidazol-3-ium-1-yl)methyl]phenyl]phenyl]methyl]imidazol-1-ium
- CAS:
- CID: 46184874
- InChiKey: VKLGGRGIKDSFHK-UHFFFAOYSA-N
- InChi: InChI=1S/C22H24N4/c1-23-11-13-25(17-23)15-19-3-7-21(8-4-19)22-9-5-20(6-10-22)16-26-14-12-24(2)18-26/h3-14,17-18H,15-16H2,1-2H3/q+2
- CanoSmiles: C[N+]1=CN(C=C1)CC2=CC=C(C=C2)C3=CC=C(C=C3)CN4C=C[N+](=C4)C
- IsoSmiles: C[N+]1=CN(C=C1)CC2=CC=C(C=C2)C3=CC=C(C=C3)CN4C=C[N+](=C4)C
