1-hydroxy-4,4,5,5-tetramethyl-3-oxido-2-phenylimidazol-3-ium

C13H18N2O2 — CID 4983

IUPAC1-hydroxy-4,4,5,5-tetramethyl-3-oxido-2-phenylimidazol-3-ium
SMILESCC1(C)N(O)C(c2ccccc2)=[N+]([O-])C1(C)C
InChIInChI=1S/C13H18N2O2/c1-12(2)13(3,4)15(17)11(14(12)16)10-8-6-5-7-9-10/h5-9,16H,1-4H3
InChIKeyMOKUQZKKYGQOCZ-UHFFFAOYSA-N
MW234.30 g/mol
LogP2.21
Rot. Bonds1

About 1-hydroxy-4,4,5,5-tetramethyl-3-oxido-2-phenylimidazol-3-ium

1-hydroxy-4,4,5,5-tetramethyl-3-oxido-2-phenylimidazol-3-ium (PubChem CID 4983) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 1-hydroxy-4,4,5,5-tetramethyl-3-oxido-2-phenylimidazol-3-ium.

Molecular Properties

Compound Name1-hydroxy-4,4,5,5-tetramethyl-3-oxido-2-phenylimidazol-3-ium
PubChem CID4983
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name1-hydroxy-4,4,5,5-tetramethyl-3-oxido-2-phenylimidazol-3-ium
SMILESCC1(C)N(O)C(c2ccccc2)=[N+]([O-])C1(C)C
InChIInChI=1S/C13H18N2O2/c1-12(2)13(3,4)15(17)11(14(12)16)10-8-6-5-7-9-10/h5-9,16H,1-4H3
InChIKeyMOKUQZKKYGQOCZ-UHFFFAOYSA-N
XLogP2.21
TPSA49.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-Phenyl-4,4,5,5-tetramethylimidazoline-1-oxyl 3-oxide
CID 2733513
4,4,5,5-Tetramethyl-2-phenyl-4,5-dihydro-1H-imidazol-1-ol
CID 15876995
1-Hydroxy-4,4,5,5-tetramethyl-2-(4-nitrophenyl)imidazole
CID 15876997
2-(2-Fluorophenyl)-1-hydroxy-4,4,5,5-tetramethylimidazole
CID 15876999
1-Hydroxy-4,4,5,5-tetramethyl-2-(3-nitrophenyl)imidazole
CID 21861700
1-Hydroxy-4,4,5,5-tetramethyl-2-(4-methylphenyl)imidazole
CID 24881453
2-(4-Chlorophenyl)-1-hydroxy-4,4,5,5-tetramethylimidazole
CID 24881457
2-(4-Bromophenyl)-1-hydroxy-4,4,5,5-tetramethylimidazole
CID 24881527
N-(tert-Butyl)-N'-hydroxybenzenecarboximidamide
CID 360683
2-Phenyl 4,4,5,5-tetramethylimidazoline-1-oxyl
CID 152916
N'-tert-butyl-N,N-diethylbenzenecarboximidamide
CID 330663
1-Methyl-2-phenyl-4,5-dihydro-1H-imidazole
CID 15357564

Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-4,4,5,5-tetramethyl-3-oxido-2-phenylimidazol-3-ium?
The IUPAC name of 1-hydroxy-4,4,5,5-tetramethyl-3-oxido-2-phenylimidazol-3-ium (CID 4983) is 1-hydroxy-4,4,5,5-tetramethyl-3-oxido-2-phenylimidazol-3-ium.
What is the SMILES notation for 1-hydroxy-4,4,5,5-tetramethyl-3-oxido-2-phenylimidazol-3-ium?
The canonical SMILES for 1-hydroxy-4,4,5,5-tetramethyl-3-oxido-2-phenylimidazol-3-ium is CC1(C)N(O)C(c2ccccc2)=[N+]([O-])C1(C)C.
What is the InChIKey of 1-hydroxy-4,4,5,5-tetramethyl-3-oxido-2-phenylimidazol-3-ium?
The InChIKey is MOKUQZKKYGQOCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-12(2)13(3,4)15(17)11(14(12)16)10-8-6-5-7-9-10/h5-9,16H,1-4H3.
What are the key properties of 1-hydroxy-4,4,5,5-tetramethyl-3-oxido-2-phenylimidazol-3-ium?
1-hydroxy-4,4,5,5-tetramethyl-3-oxido-2-phenylimidazol-3-ium has a molecular weight of 234.30 g/mol, XLogP of 2.21, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-4,4,5,5-tetramethyl-3-oxido-2-phenylimidazol-3-ium is sourced from PubChem (CID 4983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).