4-benzyl-5-methyl-2-phenyl-1H-imidazole
Basic information
- CAS
87927-77-3- Standard SMILES
Cc1[nH]c(-c2ccccc2)nc1Cc1ccccc1- InChIKey
NKVXEXBFJUACKT-UHFFFAOYSA-N- Molecular formula
- C17H16N2
- Average molar mass
- 248.32 g/mol
- Monoisotopic mass
- 248.13134852
Names & identifiers
- Preferred name
- 4-benzyl-5-methyl-2-phenyl-1H-imidazole
- IUPAC
- 4-benzyl-5-methyl-2-phenyl-1H-imidazole
- English name
- 5-Benzyl-4-methyl-2-phenylimidazole
- Molecular formula
- C17H16N2
- Molecular weight
- 248.32
Names & synonyms
87927-77-34-benzyl-5-methyl-2-phenyl-1H-imidazoleSCHEMBL784729SCHEMBL8764478DTXSID80563547NKVXEXBFJUACKT-UHFFFAOYSA-N5-Benzyl-4-methyl-2-phenylimidazole1H-Imidazole, 4-methyl-2-phenyl-5-(phenylmethyl)-
Database identifiers
- CAS
87927-77-3- PubChem CID
- 14744980
- DTXSID
DTXSID80563547
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 28.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 266
Physicochemical properties
- Boiling point
- 461.6 · 461.6±14.0 °C(Predicted)
- Density
- 1.118 · 1.118±0.06 g/cm3(Predicted)
- pka
- 13.36 · 13.36±0.10(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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