4-methyl-2-(3,3,3-trifluoropropyl)-1,4-dihydroimidazol-5-one

C7H9F3N2O — CID 106952252

IUPAC4-methyl-2-(3,3,3-trifluoropropyl)-1,4-dihydroimidazol-5-one
SMILESCC1N=C(CCC(F)(F)F)NC1=O
InChIInChI=1S/C7H9F3N2O/c1-4-6(13)12-5(11-4)2-3-7(8,9)10/h4H,2-3H2,1H3,(H,11,12,13)
InChIKeyJYEASPFBWHXISC-UHFFFAOYSA-N
MW194.16 g/mol
LogP1.25
Rot. Bonds2

About 4-methyl-2-(3,3,3-trifluoropropyl)-1,4-dihydroimidazol-5-one

4-methyl-2-(3,3,3-trifluoropropyl)-1,4-dihydroimidazol-5-one (PubChem CID 106952252) has the molecular formula C7H9F3N2O and a molecular weight of 194.16 g/mol. Its IUPAC name is 4-methyl-2-(3,3,3-trifluoropropyl)-1,4-dihydroimidazol-5-one.

Molecular Properties

Compound Name4-methyl-2-(3,3,3-trifluoropropyl)-1,4-dihydroimidazol-5-one
PubChem CID106952252
Molecular FormulaC7H9F3N2O
Molecular Weight194.16 g/mol
Exact Mass194.07
IUPAC Name4-methyl-2-(3,3,3-trifluoropropyl)-1,4-dihydroimidazol-5-one
SMILESCC1N=C(CCC(F)(F)F)NC1=O
InChIInChI=1S/C7H9F3N2O/c1-4-6(13)12-5(11-4)2-3-7(8,9)10/h4H,2-3H2,1H3,(H,11,12,13)
InChIKeyJYEASPFBWHXISC-UHFFFAOYSA-N
XLogP1.25
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
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

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(3,3,3-trifluoropropyl)-1,4-dihydroimidazol-5-one?
The IUPAC name of 4-methyl-2-(3,3,3-trifluoropropyl)-1,4-dihydroimidazol-5-one (CID 106952252) is 4-methyl-2-(3,3,3-trifluoropropyl)-1,4-dihydroimidazol-5-one.
What is the SMILES notation for 4-methyl-2-(3,3,3-trifluoropropyl)-1,4-dihydroimidazol-5-one?
The canonical SMILES for 4-methyl-2-(3,3,3-trifluoropropyl)-1,4-dihydroimidazol-5-one is CC1N=C(CCC(F)(F)F)NC1=O.
What is the InChIKey of 4-methyl-2-(3,3,3-trifluoropropyl)-1,4-dihydroimidazol-5-one?
The InChIKey is JYEASPFBWHXISC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F3N2O/c1-4-6(13)12-5(11-4)2-3-7(8,9)10/h4H,2-3H2,1H3,(H,11,12,13).
What are the key properties of 4-methyl-2-(3,3,3-trifluoropropyl)-1,4-dihydroimidazol-5-one?
4-methyl-2-(3,3,3-trifluoropropyl)-1,4-dihydroimidazol-5-one has a molecular weight of 194.16 g/mol, XLogP of 1.25, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(3,3,3-trifluoropropyl)-1,4-dihydroimidazol-5-one is sourced from PubChem (CID 106952252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).