3-hydroxy-2,4-dimethyl-1-oxido-5-phenyl-2,4-dihydroimidazol-1-ium

C11H14N2O2 — CID 121223465

IUPAC3-hydroxy-2,4-dimethyl-1-oxido-5-phenyl-2,4-dihydroimidazol-1-ium
SMILESCC1C(c2ccccc2)=[N+]([O-])C(C)N1O
InChIInChI=1S/C11H14N2O2/c1-8-11(10-6-4-3-5-7-10)13(15)9(2)12(8)14/h3-9,14H,1-2H3
InChIKeyMYBCRLOBNCOIIX-UHFFFAOYSA-N
MW206.25 g/mol
LogP1.43
Rot. Bonds1

About 3-hydroxy-2,4-dimethyl-1-oxido-5-phenyl-2,4-dihydroimidazol-1-ium

3-hydroxy-2,4-dimethyl-1-oxido-5-phenyl-2,4-dihydroimidazol-1-ium (PubChem CID 121223465) has the molecular formula C11H14N2O2 and a molecular weight of 206.25 g/mol. Its IUPAC name is 3-hydroxy-2,4-dimethyl-1-oxido-5-phenyl-2,4-dihydroimidazol-1-ium.

Molecular Properties

Compound Name3-hydroxy-2,4-dimethyl-1-oxido-5-phenyl-2,4-dihydroimidazol-1-ium
PubChem CID121223465
Molecular FormulaC11H14N2O2
Molecular Weight206.25 g/mol
Exact Mass206.11
IUPAC Name3-hydroxy-2,4-dimethyl-1-oxido-5-phenyl-2,4-dihydroimidazol-1-ium
SMILESCC1C(c2ccccc2)=[N+]([O-])C(C)N1O
InChIInChI=1S/C11H14N2O2/c1-8-11(10-6-4-3-5-7-10)13(15)9(2)12(8)14/h3-9,14H,1-2H3
InChIKeyMYBCRLOBNCOIIX-UHFFFAOYSA-N
XLogP1.43
TPSA49.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 51.43
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

2,2,5,5-Tetramethyl-4-(4-methylphenyl)-2,5-dihydro-1H-imidazol-1-ol 3-oxide
CID 589469
1H-Imidazole, 2,5-dihydro-1-hydroxy-5,5-dimethyl-4-phenyl-, 3-oxide
CID 796149
2-Methyl-3-phenyl-1,4-diazaspiro[4.5]dec-3-en-1-ol 4-oxide
CID 2888441
2-Ethyl-5-(4-fluorophenyl)-3-hydroxy-2,4,4-trimethyl-1-oxidoimidazol-1-ium
CID 2917114
(1E)-2-[(Z)-(2E)-but-2-enylidene(oxido)amino]-1-(4-fluorophenyl)propan-1-one oxime
CID 16278263
2,2,5,5-Tetramethyl-4-phenyl-1-imidazolidinol 3-oxide
CID 378672
3,4,4-trimethyl-1-oxido-5-phenyl-2H-imidazol-1-ium
CID 870960
2-Methyl-3-phenyl-1,4-diazaspiro[4.4]non-3-en-1-ol 4-oxide
CID 2887657
AJ-292/40413443
CID 3658422
5,5-Dimethyl-2,4-diphenyl-3-imidazolin-1-ol
CID 2834164
4-ethyl-1-hydroxy-5,5-dimethyl-2-phenyl-2H-imidazole
CID 2843860
1-[4-(4-fluorophenyl)-1-hydroxy-2,5,5-trimethyl-3-oxido-2,5-dihydro-1H-imidazol-2-yl]ethanone oxime
CID 9567364

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2,4-dimethyl-1-oxido-5-phenyl-2,4-dihydroimidazol-1-ium?
The IUPAC name of 3-hydroxy-2,4-dimethyl-1-oxido-5-phenyl-2,4-dihydroimidazol-1-ium (CID 121223465) is 3-hydroxy-2,4-dimethyl-1-oxido-5-phenyl-2,4-dihydroimidazol-1-ium.
What is the SMILES notation for 3-hydroxy-2,4-dimethyl-1-oxido-5-phenyl-2,4-dihydroimidazol-1-ium?
The canonical SMILES for 3-hydroxy-2,4-dimethyl-1-oxido-5-phenyl-2,4-dihydroimidazol-1-ium is CC1C(c2ccccc2)=[N+]([O-])C(C)N1O.
What is the InChIKey of 3-hydroxy-2,4-dimethyl-1-oxido-5-phenyl-2,4-dihydroimidazol-1-ium?
The InChIKey is MYBCRLOBNCOIIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2/c1-8-11(10-6-4-3-5-7-10)13(15)9(2)12(8)14/h3-9,14H,1-2H3.
What are the key properties of 3-hydroxy-2,4-dimethyl-1-oxido-5-phenyl-2,4-dihydroimidazol-1-ium?
3-hydroxy-2,4-dimethyl-1-oxido-5-phenyl-2,4-dihydroimidazol-1-ium has a molecular weight of 206.25 g/mol, XLogP of 1.43, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2,4-dimethyl-1-oxido-5-phenyl-2,4-dihydroimidazol-1-ium is sourced from PubChem (CID 121223465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).