5-ethyl-5-methyl-2-thiophen-3-yl-3-(2,2,2-trifluoroethyl)imidazolidin-4-one

C12H15F3N2OS — CID 83251189

IUPAC5-ethyl-5-methyl-2-thiophen-3-yl-3-(2,2,2-trifluoroethyl)imidazolidin-4-one
SMILESCCC1(C)NC(c2ccsc2)N(CC(F)(F)F)C1=O
InChIInChI=1S/C12H15F3N2OS/c1-3-11(2)10(18)17(7-12(13,14)15)9(16-11)8-4-5-19-6-8/h4-6,9,16H,3,7H2,1-2H3
InChIKeyDVDXVKJOZCOEGL-UHFFFAOYSA-N
MW292.33 g/mol
LogP2.91
Rot. Bonds3

About 5-ethyl-5-methyl-2-thiophen-3-yl-3-(2,2,2-trifluoroethyl)imidazolidin-4-one

5-ethyl-5-methyl-2-thiophen-3-yl-3-(2,2,2-trifluoroethyl)imidazolidin-4-one (PubChem CID 83251189) has the molecular formula C12H15F3N2OS and a molecular weight of 292.33 g/mol. Its IUPAC name is 5-ethyl-5-methyl-2-thiophen-3-yl-3-(2,2,2-trifluoroethyl)imidazolidin-4-one.

Molecular Properties

Compound Name5-ethyl-5-methyl-2-thiophen-3-yl-3-(2,2,2-trifluoroethyl)imidazolidin-4-one
PubChem CID83251189
Molecular FormulaC12H15F3N2OS
Molecular Weight292.33 g/mol
Exact Mass292.09
IUPAC Name5-ethyl-5-methyl-2-thiophen-3-yl-3-(2,2,2-trifluoroethyl)imidazolidin-4-one
SMILESCCC1(C)NC(c2ccsc2)N(CC(F)(F)F)C1=O
InChIInChI=1S/C12H15F3N2OS/c1-3-11(2)10(18)17(7-12(13,14)15)9(16-11)8-4-5-19-6-8/h4-6,9,16H,3,7H2,1-2H3
InChIKeyDVDXVKJOZCOEGL-UHFFFAOYSA-N
XLogP2.91
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-5-methyl-2-thiophen-3-yl-3-(2,2,2-trifluoroethyl)imidazolidin-4-one?
The IUPAC name of 5-ethyl-5-methyl-2-thiophen-3-yl-3-(2,2,2-trifluoroethyl)imidazolidin-4-one (CID 83251189) is 5-ethyl-5-methyl-2-thiophen-3-yl-3-(2,2,2-trifluoroethyl)imidazolidin-4-one.
What is the SMILES notation for 5-ethyl-5-methyl-2-thiophen-3-yl-3-(2,2,2-trifluoroethyl)imidazolidin-4-one?
The canonical SMILES for 5-ethyl-5-methyl-2-thiophen-3-yl-3-(2,2,2-trifluoroethyl)imidazolidin-4-one is CCC1(C)NC(c2ccsc2)N(CC(F)(F)F)C1=O.
What is the InChIKey of 5-ethyl-5-methyl-2-thiophen-3-yl-3-(2,2,2-trifluoroethyl)imidazolidin-4-one?
The InChIKey is DVDXVKJOZCOEGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2OS/c1-3-11(2)10(18)17(7-12(13,14)15)9(16-11)8-4-5-19-6-8/h4-6,9,16H,3,7H2,1-2H3.
What are the key properties of 5-ethyl-5-methyl-2-thiophen-3-yl-3-(2,2,2-trifluoroethyl)imidazolidin-4-one?
5-ethyl-5-methyl-2-thiophen-3-yl-3-(2,2,2-trifluoroethyl)imidazolidin-4-one has a molecular weight of 292.33 g/mol, XLogP of 2.91, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-5-methyl-2-thiophen-3-yl-3-(2,2,2-trifluoroethyl)imidazolidin-4-one is sourced from PubChem (CID 83251189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).