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

C12H15F3N2OS — CID 83250858

IUPAC5-propan-2-yl-2-thiophen-3-yl-3-(2,2,2-trifluoroethyl)imidazolidin-4-one
SMILESCC(C)C1NC(c2ccsc2)N(CC(F)(F)F)C1=O
InChIInChI=1S/C12H15F3N2OS/c1-7(2)9-11(18)17(6-12(13,14)15)10(16-9)8-3-4-19-5-8/h3-5,7,9-10,16H,6H2,1-2H3
InChIKeyVISPTGCNVCDNNT-UHFFFAOYSA-N
MW292.33 g/mol
LogP2.77
Rot. Bonds3

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

5-propan-2-yl-2-thiophen-3-yl-3-(2,2,2-trifluoroethyl)imidazolidin-4-one (PubChem CID 83250858) has the molecular formula C12H15F3N2OS and a molecular weight of 292.33 g/mol. Its IUPAC name is 5-propan-2-yl-2-thiophen-3-yl-3-(2,2,2-trifluoroethyl)imidazolidin-4-one.

Molecular Properties

Compound Name5-propan-2-yl-2-thiophen-3-yl-3-(2,2,2-trifluoroethyl)imidazolidin-4-one
PubChem CID83250858
Molecular FormulaC12H15F3N2OS
Molecular Weight292.33 g/mol
Exact Mass292.09
IUPAC Name5-propan-2-yl-2-thiophen-3-yl-3-(2,2,2-trifluoroethyl)imidazolidin-4-one
SMILESCC(C)C1NC(c2ccsc2)N(CC(F)(F)F)C1=O
InChIInChI=1S/C12H15F3N2OS/c1-7(2)9-11(18)17(6-12(13,14)15)10(16-9)8-3-4-19-5-8/h3-5,7,9-10,16H,6H2,1-2H3
InChIKeyVISPTGCNVCDNNT-UHFFFAOYSA-N
XLogP2.77
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 ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-propan-2-yl-2-thiophen-3-yl-3-(2,2,2-trifluoroethyl)imidazolidin-4-one?
The IUPAC name of 5-propan-2-yl-2-thiophen-3-yl-3-(2,2,2-trifluoroethyl)imidazolidin-4-one (CID 83250858) is 5-propan-2-yl-2-thiophen-3-yl-3-(2,2,2-trifluoroethyl)imidazolidin-4-one.
What is the SMILES notation for 5-propan-2-yl-2-thiophen-3-yl-3-(2,2,2-trifluoroethyl)imidazolidin-4-one?
The canonical SMILES for 5-propan-2-yl-2-thiophen-3-yl-3-(2,2,2-trifluoroethyl)imidazolidin-4-one is CC(C)C1NC(c2ccsc2)N(CC(F)(F)F)C1=O.
What is the InChIKey of 5-propan-2-yl-2-thiophen-3-yl-3-(2,2,2-trifluoroethyl)imidazolidin-4-one?
The InChIKey is VISPTGCNVCDNNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2OS/c1-7(2)9-11(18)17(6-12(13,14)15)10(16-9)8-3-4-19-5-8/h3-5,7,9-10,16H,6H2,1-2H3.
What are the key properties of 5-propan-2-yl-2-thiophen-3-yl-3-(2,2,2-trifluoroethyl)imidazolidin-4-one?
5-propan-2-yl-2-thiophen-3-yl-3-(2,2,2-trifluoroethyl)imidazolidin-4-one has a molecular weight of 292.33 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propan-2-yl-2-thiophen-3-yl-3-(2,2,2-trifluoroethyl)imidazolidin-4-one is sourced from PubChem (CID 83250858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).