2-methyl-4-phenyl-4-(trifluoromethyl)-1H-imidazol-5-one

C11H9F3N2O — CID 163658922

IUPAC2-methyl-4-phenyl-4-(trifluoromethyl)-1H-imidazol-5-one
SMILESCC1=NC(c2ccccc2)(C(F)(F)F)C(=O)N1
InChIInChI=1S/C11H9F3N2O/c1-7-15-9(17)10(16-7,11(12,13)14)8-5-3-2-4-6-8/h2-6H,1H3,(H,15,16,17)
InChIKeyISRONRXJJCUEMZ-UHFFFAOYSA-N
MW242.20 g/mol
LogP1.99
Rot. Bonds1

About 2-methyl-4-phenyl-4-(trifluoromethyl)-1H-imidazol-5-one

2-methyl-4-phenyl-4-(trifluoromethyl)-1H-imidazol-5-one (PubChem CID 163658922) has the molecular formula C11H9F3N2O and a molecular weight of 242.20 g/mol. Its IUPAC name is 2-methyl-4-phenyl-4-(trifluoromethyl)-1H-imidazol-5-one.

Molecular Properties

Compound Name2-methyl-4-phenyl-4-(trifluoromethyl)-1H-imidazol-5-one
PubChem CID163658922
Molecular FormulaC11H9F3N2O
Molecular Weight242.20 g/mol
Exact Mass242.07
IUPAC Name2-methyl-4-phenyl-4-(trifluoromethyl)-1H-imidazol-5-one
SMILESCC1=NC(c2ccccc2)(C(F)(F)F)C(=O)N1
InChIInChI=1S/C11H9F3N2O/c1-7-15-9(17)10(16-7,11(12,13)14)8-5-3-2-4-6-8/h2-6H,1H3,(H,15,16,17)
InChIKeyISRONRXJJCUEMZ-UHFFFAOYSA-N
XLogP1.99
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.20
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-phenyl-4-(trifluoromethyl)-1H-imidazol-5-one?
The IUPAC name of 2-methyl-4-phenyl-4-(trifluoromethyl)-1H-imidazol-5-one (CID 163658922) is 2-methyl-4-phenyl-4-(trifluoromethyl)-1H-imidazol-5-one.
What is the SMILES notation for 2-methyl-4-phenyl-4-(trifluoromethyl)-1H-imidazol-5-one?
The canonical SMILES for 2-methyl-4-phenyl-4-(trifluoromethyl)-1H-imidazol-5-one is CC1=NC(c2ccccc2)(C(F)(F)F)C(=O)N1.
What is the InChIKey of 2-methyl-4-phenyl-4-(trifluoromethyl)-1H-imidazol-5-one?
The InChIKey is ISRONRXJJCUEMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F3N2O/c1-7-15-9(17)10(16-7,11(12,13)14)8-5-3-2-4-6-8/h2-6H,1H3,(H,15,16,17).
What are the key properties of 2-methyl-4-phenyl-4-(trifluoromethyl)-1H-imidazol-5-one?
2-methyl-4-phenyl-4-(trifluoromethyl)-1H-imidazol-5-one has a molecular weight of 242.20 g/mol, XLogP of 1.99, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-phenyl-4-(trifluoromethyl)-1H-imidazol-5-one is sourced from PubChem (CID 163658922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).