4-methyl-2-(2,2,2-trifluoroethyl)-1,4-dihydroimidazol-5-one

C6H7F3N2O — CID 106952046

IUPAC4-methyl-2-(2,2,2-trifluoroethyl)-1,4-dihydroimidazol-5-one
SMILESCC1N=C(CC(F)(F)F)NC1=O
InChIInChI=1S/C6H7F3N2O/c1-3-5(12)11-4(10-3)2-6(7,8)9/h3H,2H2,1H3,(H,10,11,12)
InChIKeyWTRQROMOKOIJPG-UHFFFAOYSA-N
MW180.13 g/mol
LogP0.86
Rot. Bonds1

About 4-methyl-2-(2,2,2-trifluoroethyl)-1,4-dihydroimidazol-5-one

4-methyl-2-(2,2,2-trifluoroethyl)-1,4-dihydroimidazol-5-one (PubChem CID 106952046) has the molecular formula C6H7F3N2O and a molecular weight of 180.13 g/mol. Its IUPAC name is 4-methyl-2-(2,2,2-trifluoroethyl)-1,4-dihydroimidazol-5-one.

Molecular Properties

Compound Name4-methyl-2-(2,2,2-trifluoroethyl)-1,4-dihydroimidazol-5-one
PubChem CID106952046
Molecular FormulaC6H7F3N2O
Molecular Weight180.13 g/mol
Exact Mass180.05
IUPAC Name4-methyl-2-(2,2,2-trifluoroethyl)-1,4-dihydroimidazol-5-one
SMILESCC1N=C(CC(F)(F)F)NC1=O
InChIInChI=1S/C6H7F3N2O/c1-3-5(12)11-4(10-3)2-6(7,8)9/h3H,2H2,1H3,(H,10,11,12)
InChIKeyWTRQROMOKOIJPG-UHFFFAOYSA-N
XLogP0.86
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.13
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(2,2,2-trifluoroethyl)-1,4-dihydroimidazol-5-one?
The IUPAC name of 4-methyl-2-(2,2,2-trifluoroethyl)-1,4-dihydroimidazol-5-one (CID 106952046) is 4-methyl-2-(2,2,2-trifluoroethyl)-1,4-dihydroimidazol-5-one.
What is the SMILES notation for 4-methyl-2-(2,2,2-trifluoroethyl)-1,4-dihydroimidazol-5-one?
The canonical SMILES for 4-methyl-2-(2,2,2-trifluoroethyl)-1,4-dihydroimidazol-5-one is CC1N=C(CC(F)(F)F)NC1=O.
What is the InChIKey of 4-methyl-2-(2,2,2-trifluoroethyl)-1,4-dihydroimidazol-5-one?
The InChIKey is WTRQROMOKOIJPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F3N2O/c1-3-5(12)11-4(10-3)2-6(7,8)9/h3H,2H2,1H3,(H,10,11,12).
What are the key properties of 4-methyl-2-(2,2,2-trifluoroethyl)-1,4-dihydroimidazol-5-one?
4-methyl-2-(2,2,2-trifluoroethyl)-1,4-dihydroimidazol-5-one has a molecular weight of 180.13 g/mol, XLogP of 0.86, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(2,2,2-trifluoroethyl)-1,4-dihydroimidazol-5-one is sourced from PubChem (CID 106952046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).