2-Butyl-4-methyl-3-oxo-5-phenyl-1H-3lambda~5~-imidazol-1-ol
Basic information
- CAS
58099-81-3- Standard SMILES
CCCCc1n(O)c(-c2ccccc2)c(C)[n+]1[O-]- InChIKey
CAIORSUOYPRKLB-UHFFFAOYSA-N- Molecular formula
- C14H18N2O2
- Average molar mass
- 246.3 g/mol
- Monoisotopic mass
- 246.13682782
Names & identifiers
- Preferred name
- 2-Butyl-4-methyl-3-oxo-5-phenyl-1H-3lambda~5~-imidazol-1-ol
- IUPAC
- 2-butyl-1-hydroxy-4-methyl-3-oxido-5-phenylimidazol-3-ium
Names & synonyms
58099-81-3NSC307493DTXSID803168582-Butyl-4-methyl-3-oxo-5-phenyl-1H-3lambda~5~-imidazol-1-olNSC-307493DS-0008212-butyl-3-hydroxy-5-methyl-1-oxido-4-phenyl-imidazole
Database identifiers
- CAS
58099-81-3- PubChem CID
- 328610
- DTXSID
DTXSID80316858
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 50.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 256
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Compound notes
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