4,4-dimethyl-2-(2,2,2-trifluoroethyl)-1H-imidazol-5-one

C7H9F3N2O — CID 106953450

IUPAC4,4-dimethyl-2-(2,2,2-trifluoroethyl)-1H-imidazol-5-one
SMILESCC1(C)N=C(CC(F)(F)F)NC1=O
InChIInChI=1S/C7H9F3N2O/c1-6(2)5(13)11-4(12-6)3-7(8,9)10/h3H2,1-2H3,(H,11,12,13)
InChIKeyICBDQAYURQNQFZ-UHFFFAOYSA-N
MW194.16 g/mol
LogP1.25
Rot. Bonds1

About 4,4-dimethyl-2-(2,2,2-trifluoroethyl)-1H-imidazol-5-one

4,4-dimethyl-2-(2,2,2-trifluoroethyl)-1H-imidazol-5-one (PubChem CID 106953450) has the molecular formula C7H9F3N2O and a molecular weight of 194.16 g/mol. Its IUPAC name is 4,4-dimethyl-2-(2,2,2-trifluoroethyl)-1H-imidazol-5-one.

Molecular Properties

Compound Name4,4-dimethyl-2-(2,2,2-trifluoroethyl)-1H-imidazol-5-one
PubChem CID106953450
Molecular FormulaC7H9F3N2O
Molecular Weight194.16 g/mol
Exact Mass194.07
IUPAC Name4,4-dimethyl-2-(2,2,2-trifluoroethyl)-1H-imidazol-5-one
SMILESCC1(C)N=C(CC(F)(F)F)NC1=O
InChIInChI=1S/C7H9F3N2O/c1-6(2)5(13)11-4(12-6)3-7(8,9)10/h3H2,1-2H3,(H,11,12,13)
InChIKeyICBDQAYURQNQFZ-UHFFFAOYSA-N
XLogP1.25
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.16
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4,4-dimethyl-2-(2,2,2-trifluoroethyl)-1H-imidazol-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-2-(2,2,2-trifluoroethyl)-1H-imidazol-5-one?
The IUPAC name of 4,4-dimethyl-2-(2,2,2-trifluoroethyl)-1H-imidazol-5-one (CID 106953450) is 4,4-dimethyl-2-(2,2,2-trifluoroethyl)-1H-imidazol-5-one.
What is the SMILES notation for 4,4-dimethyl-2-(2,2,2-trifluoroethyl)-1H-imidazol-5-one?
The canonical SMILES for 4,4-dimethyl-2-(2,2,2-trifluoroethyl)-1H-imidazol-5-one is CC1(C)N=C(CC(F)(F)F)NC1=O.
What is the InChIKey of 4,4-dimethyl-2-(2,2,2-trifluoroethyl)-1H-imidazol-5-one?
The InChIKey is ICBDQAYURQNQFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F3N2O/c1-6(2)5(13)11-4(12-6)3-7(8,9)10/h3H2,1-2H3,(H,11,12,13).
What are the key properties of 4,4-dimethyl-2-(2,2,2-trifluoroethyl)-1H-imidazol-5-one?
4,4-dimethyl-2-(2,2,2-trifluoroethyl)-1H-imidazol-5-one has a molecular weight of 194.16 g/mol, XLogP of 1.25, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-2-(2,2,2-trifluoroethyl)-1H-imidazol-5-one is sourced from PubChem (CID 106953450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).