2,2-dimethyl-4-phenyl-1H-imidazol-5-one

C11H12N2O — CID 6621552

IUPAC2,2-dimethyl-4-phenyl-1H-imidazol-5-one
SMILESCC1(C)N=C(c2ccccc2)C(=O)N1
InChIInChI=1S/C11H12N2O/c1-11(2)12-9(10(14)13-11)8-6-4-3-5-7-8/h3-7H,1-2H3,(H,13,14)
InChIKeyAFDOVYSTWKDBKG-UHFFFAOYSA-N
MW188.23 g/mol
LogP1.34
Rot. Bonds1

About 2,2-dimethyl-4-phenyl-1H-imidazol-5-one

2,2-dimethyl-4-phenyl-1H-imidazol-5-one (PubChem CID 6621552) has the molecular formula C11H12N2O and a molecular weight of 188.23 g/mol. Its IUPAC name is 2,2-dimethyl-4-phenyl-1H-imidazol-5-one.

Molecular Properties

Compound Name2,2-dimethyl-4-phenyl-1H-imidazol-5-one
PubChem CID6621552
Molecular FormulaC11H12N2O
Molecular Weight188.23 g/mol
Exact Mass188.09
IUPAC Name2,2-dimethyl-4-phenyl-1H-imidazol-5-one
SMILESCC1(C)N=C(c2ccccc2)C(=O)N1
InChIInChI=1S/C11H12N2O/c1-11(2)12-9(10(14)13-11)8-6-4-3-5-7-8/h3-7H,1-2H3,(H,13,14)
InChIKeyAFDOVYSTWKDBKG-UHFFFAOYSA-N
XLogP1.34
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Phenacemide
CID 4753
Pheneturide
CID 72060
Desaminometamitron
CID 135413636
3-(4-Chlorophenyl)-1,4-diazaspiro[4.4]non-3-en-2-one
CID 3241514
3-Phenyl-1,4-diazaspiro[4.5]dec-3-en-2-one
CID 3242855
5-(2,4-dichlorophenyl)-2,2-dimethyl-2,3-dihydro-4H-imidazol-4-one
CID 3237963
5-(3-fluorophenyl)-2,2-dimethyl-2,3-dihydro-4H-imidazol-4-one
CID 3240492
5-(4-chlorophenyl)-2,2-dimethyl-2,3-dihydro-4H-imidazol-4-one
CID 3240911
3-(4-Fluorophenyl)-1,4-diazaspiro[4.4]non-3-en-2-one
CID 9550199
3-(4-Fluorophenyl)-1,4-diazaspiro[4.6]undec-3-en-2-one
CID 9550650
2,2-dimethyl-5-(4-methylphenyl)-2,3-dihydro-4H-imidazol-4-one
CID 9550805
3-(4-Bromophenyl)-1,4-diazaspiro[4.6]undec-3-en-2-one
CID 16193730

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-4-phenyl-1H-imidazol-5-one?
The IUPAC name of 2,2-dimethyl-4-phenyl-1H-imidazol-5-one (CID 6621552) is 2,2-dimethyl-4-phenyl-1H-imidazol-5-one.
What is the SMILES notation for 2,2-dimethyl-4-phenyl-1H-imidazol-5-one?
The canonical SMILES for 2,2-dimethyl-4-phenyl-1H-imidazol-5-one is CC1(C)N=C(c2ccccc2)C(=O)N1.
What is the InChIKey of 2,2-dimethyl-4-phenyl-1H-imidazol-5-one?
The InChIKey is AFDOVYSTWKDBKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O/c1-11(2)12-9(10(14)13-11)8-6-4-3-5-7-8/h3-7H,1-2H3,(H,13,14).
What are the key properties of 2,2-dimethyl-4-phenyl-1H-imidazol-5-one?
2,2-dimethyl-4-phenyl-1H-imidazol-5-one has a molecular weight of 188.23 g/mol, XLogP of 1.34, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-4-phenyl-1H-imidazol-5-one is sourced from PubChem (CID 6621552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).