Basic information
- CAS
59570-09-1- Standard SMILES
CC1(C)C(c2ccccc2)=[N+]([O-])CN1O- InChIKey
DUFGGHRGHRZDBI-UHFFFAOYSA-N- Molecular formula
- C11H14N2O2
- Average molar mass
- 206.24 g/mol
- Monoisotopic mass
- 206.10552769
Names & identifiers
- Preferred name
- 1H-Imidazole, 2,5-dihydro-1-hydroxy-5,5-dimethyl-4-phenyl-, 3-oxide
- IUPAC
- 3-hydroxy-4,4-dimethyl-1-oxido-5-phenyl-2H-imidazol-1-ium
Names & synonyms
59570-09-11H-Imidazole, 2,5-dihydro-1-hydroxy-5,5-dimethyl-4-phenyl-, 3-oxideDTXSID50355299RefChem:238035DTXCID203063595,5-dimethyl-4-phenyl-2,5-dihydro-1H-imidazol-1-ol 3-oxide3-hydroxy-4,4-dimethyl-1-oxido-5-phenyl-2H-imidazol-1-iumSMR000103178MLS000106209CHEMBL1311037HMS1580H21HMS2440L16
Show more names
STK834662AKOS000534431ST509792815,5-dimethyl-4-phenyl-3-imidazoline-1,3-diolAB00081406-011-hydroxy-5,5-dimethyl-4-phenyl-2,5-dihydro-1H-imidazole 3-oxide5,5-Dimethyl-3-oxo-4-phenyl-2,5-dihydro-1H-3lambda~5~-imidazol-1-ol
Database identifiers
- CAS
59570-09-1- PubChem CID
- 796149
- DTXSID
DTXSID50355299- ChEMBL
CHEMBL1311037
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 52.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 280
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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