1,3-dimethyl-2-phenyl-4,5-dihydro-1H-imidazol-3-ium
Basic information
- CAS
50578-21-7- Standard SMILES
CN1CC[N+](C)=C1c1ccccc1- InChIKey
BAHXBSVOKSODDU-UHFFFAOYSA-N- Molecular formula
- C11H15N2+
- Average molar mass
- 175.25 g/mol
- Monoisotopic mass
- 175.12352349
Names & identifiers
- Preferred name
- 1,3-dimethyl-2-phenyl-4,5-dihydro-1H-imidazol-3-ium
- IUPAC
- 1,3-dimethyl-2-phenyl-4,5-dihydroimidazol-1-ium
Names & synonyms
NCI60_022327SCHEMBL18361011,3-dimethyl-2-phenyl-4,5-dihydro-1H-imidazol-3-iumCHEMBL3558849DTXSID60123689250578-21-74,5-Dihydro-1,3-dimethyl-2-phenyl-1H-imidazolium
Database identifiers
- CAS
50578-21-7- PubChem CID
- 499192
- DTXSID
DTXSID601236892- ChEMBL
CHEMBL3558849- Nikkaji
- J2.708.491E
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 6.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 1
- Complexity
- 199
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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