4,5-dimethyl-3-(2,2,2-trifluoroethyl)-1H-imidazol-2-one

C7H9F3N2O — CID 123549498

IUPAC4,5-dimethyl-3-(2,2,2-trifluoroethyl)-1H-imidazol-2-one
SMILESCc1[nH]c(=O)n(CC(F)(F)F)c1C
InChIInChI=1S/C7H9F3N2O/c1-4-5(2)12(6(13)11-4)3-7(8,9)10/h3H2,1-2H3,(H,11,13)
InChIKeyXQMXGDZCHDBNBX-UHFFFAOYSA-N
MW194.16 g/mol
LogP1.36
Rot. Bonds1

About 4,5-dimethyl-3-(2,2,2-trifluoroethyl)-1H-imidazol-2-one

4,5-dimethyl-3-(2,2,2-trifluoroethyl)-1H-imidazol-2-one (PubChem CID 123549498) has the molecular formula C7H9F3N2O and a molecular weight of 194.16 g/mol. Its IUPAC name is 4,5-dimethyl-3-(2,2,2-trifluoroethyl)-1H-imidazol-2-one.

Molecular Properties

Compound Name4,5-dimethyl-3-(2,2,2-trifluoroethyl)-1H-imidazol-2-one
PubChem CID123549498
Molecular FormulaC7H9F3N2O
Molecular Weight194.16 g/mol
Exact Mass194.07
IUPAC Name4,5-dimethyl-3-(2,2,2-trifluoroethyl)-1H-imidazol-2-one
SMILESCc1[nH]c(=O)n(CC(F)(F)F)c1C
InChIInChI=1S/C7H9F3N2O/c1-4-5(2)12(6(13)11-4)3-7(8,9)10/h3H2,1-2H3,(H,11,13)
InChIKeyXQMXGDZCHDBNBX-UHFFFAOYSA-N
XLogP1.36
TPSA37.79 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 ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-3-(2,2,2-trifluoroethyl)-1H-imidazol-2-one?
The IUPAC name of 4,5-dimethyl-3-(2,2,2-trifluoroethyl)-1H-imidazol-2-one (CID 123549498) is 4,5-dimethyl-3-(2,2,2-trifluoroethyl)-1H-imidazol-2-one.
What is the SMILES notation for 4,5-dimethyl-3-(2,2,2-trifluoroethyl)-1H-imidazol-2-one?
The canonical SMILES for 4,5-dimethyl-3-(2,2,2-trifluoroethyl)-1H-imidazol-2-one is Cc1[nH]c(=O)n(CC(F)(F)F)c1C.
What is the InChIKey of 4,5-dimethyl-3-(2,2,2-trifluoroethyl)-1H-imidazol-2-one?
The InChIKey is XQMXGDZCHDBNBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F3N2O/c1-4-5(2)12(6(13)11-4)3-7(8,9)10/h3H2,1-2H3,(H,11,13).
What are the key properties of 4,5-dimethyl-3-(2,2,2-trifluoroethyl)-1H-imidazol-2-one?
4,5-dimethyl-3-(2,2,2-trifluoroethyl)-1H-imidazol-2-one has a molecular weight of 194.16 g/mol, XLogP of 1.36, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-3-(2,2,2-trifluoroethyl)-1H-imidazol-2-one is sourced from PubChem (CID 123549498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).