5-(4-fluorophenyl)-3-hydroxy-2,4-dimethyl-1-oxido-2-phenyl-4H-imidazol-1-ium

C17H17FN2O2 — CID 2917389

IUPAC5-(4-fluorophenyl)-3-hydroxy-2,4-dimethyl-1-oxido-2-phenyl-4H-imidazol-1-ium
SMILESCC1C(c2ccc(F)cc2)=[N+]([O-])C(C)(c2ccccc2)N1O
InChIInChI=1S/C17H17FN2O2/c1-12-16(13-8-10-15(18)11-9-13)20(22)17(2,19(12)21)14-6-4-3-5-7-14/h3-12,21H,1-2H3
InChIKeyOYIXZKPXBNPMNM-UHFFFAOYSA-N
MW300.33 g/mol
LogP3.09
Rot. Bonds2

About 5-(4-fluorophenyl)-3-hydroxy-2,4-dimethyl-1-oxido-2-phenyl-4H-imidazol-1-ium

5-(4-fluorophenyl)-3-hydroxy-2,4-dimethyl-1-oxido-2-phenyl-4H-imidazol-1-ium (PubChem CID 2917389) has the molecular formula C17H17FN2O2 and a molecular weight of 300.33 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-3-hydroxy-2,4-dimethyl-1-oxido-2-phenyl-4H-imidazol-1-ium.

Molecular Properties

Compound Name5-(4-fluorophenyl)-3-hydroxy-2,4-dimethyl-1-oxido-2-phenyl-4H-imidazol-1-ium
PubChem CID2917389
Molecular FormulaC17H17FN2O2
Molecular Weight300.33 g/mol
Exact Mass300.13
IUPAC Name5-(4-fluorophenyl)-3-hydroxy-2,4-dimethyl-1-oxido-2-phenyl-4H-imidazol-1-ium
SMILESCC1C(c2ccc(F)cc2)=[N+]([O-])C(C)(c2ccccc2)N1O
InChIInChI=1S/C17H17FN2O2/c1-12-16(13-8-10-15(18)11-9-13)20(22)17(2,19(12)21)14-6-4-3-5-7-14/h3-12,21H,1-2H3
InChIKeyOYIXZKPXBNPMNM-UHFFFAOYSA-N
XLogP3.09
TPSA49.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.33
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 5-(4-fluorophenyl)-3-hydroxy-2,4-dimethyl-1-oxido-2-phenyl-4H-imidazol-1-ium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-3-hydroxy-2,4-dimethyl-1-oxido-2-phenyl-4H-imidazol-1-ium?
The IUPAC name of 5-(4-fluorophenyl)-3-hydroxy-2,4-dimethyl-1-oxido-2-phenyl-4H-imidazol-1-ium (CID 2917389) is 5-(4-fluorophenyl)-3-hydroxy-2,4-dimethyl-1-oxido-2-phenyl-4H-imidazol-1-ium.
What is the SMILES notation for 5-(4-fluorophenyl)-3-hydroxy-2,4-dimethyl-1-oxido-2-phenyl-4H-imidazol-1-ium?
The canonical SMILES for 5-(4-fluorophenyl)-3-hydroxy-2,4-dimethyl-1-oxido-2-phenyl-4H-imidazol-1-ium is CC1C(c2ccc(F)cc2)=[N+]([O-])C(C)(c2ccccc2)N1O.
What is the InChIKey of 5-(4-fluorophenyl)-3-hydroxy-2,4-dimethyl-1-oxido-2-phenyl-4H-imidazol-1-ium?
The InChIKey is OYIXZKPXBNPMNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2O2/c1-12-16(13-8-10-15(18)11-9-13)20(22)17(2,19(12)21)14-6-4-3-5-7-14/h3-12,21H,1-2H3.
What are the key properties of 5-(4-fluorophenyl)-3-hydroxy-2,4-dimethyl-1-oxido-2-phenyl-4H-imidazol-1-ium?
5-(4-fluorophenyl)-3-hydroxy-2,4-dimethyl-1-oxido-2-phenyl-4H-imidazol-1-ium has a molecular weight of 300.33 g/mol, XLogP of 3.09, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-3-hydroxy-2,4-dimethyl-1-oxido-2-phenyl-4H-imidazol-1-ium is sourced from PubChem (CID 2917389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).