4-(1-hydroxy-4-methyl-3-oxido-5-phenylimidazol-3-ium-2-yl)-N,N-dimethylaniline
Basic information
- CAS
58099-87-9- Standard SMILES
Cc1c(-c2ccccc2)n(O)c(-c2ccc(N(C)C)cc2)[n+]1[O-]- InChIKey
MNYNMNYSBNTXNP-UHFFFAOYSA-N- Molecular formula
- C18H19N3O2
- Average molar mass
- 309.4 g/mol
- Monoisotopic mass
- 309.14772686
Names & identifiers
- Preferred name
- 4-(1-hydroxy-4-methyl-3-oxido-5-phenylimidazol-3-ium-2-yl)-N,N-dimethylaniline
- IUPAC
- 4-(1-hydroxy-4-methyl-3-oxido-5-phenylimidazol-3-ium-2-yl)-N,N-dimethylaniline
Names & synonyms
MLS00311584158099-87-9NSC307496CHEMBL2361742DTXSID50316860NSC-307496SMR001831407DS-0065942-[4-(Dimethylamino)phenyl]-4-methyl-3-oxo-5-phenyl-1H-3lambda~5~-imidazol-1-olBENZENAMINE,4-(1-HYDROXY-4-METHYL-3-OXIDO-5-PHENYL-1H-IMIDAZOL-2-YL)-N,N-DIMETHYL-
Database identifiers
- CAS
58099-87-9- PubChem CID
- 328613
- DTXSID
DTXSID50316860- ChEMBL
CHEMBL2361742
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 53.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 378
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Compound notes
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