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

C10H11F3N2OS — CID 113225393

IUPAC5-methyl-2-thiophen-3-yl-3-(2,2,2-trifluoroethyl)imidazolidin-4-one
SMILESCC1NC(c2ccsc2)N(CC(F)(F)F)C1=O
InChIInChI=1S/C10H11F3N2OS/c1-6-9(16)15(5-10(11,12)13)8(14-6)7-2-3-17-4-7/h2-4,6,8,14H,5H2,1H3
InChIKeyYXKQHGSNQQINCK-UHFFFAOYSA-N
MW264.27 g/mol
LogP2.13
Rot. Bonds2

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

5-methyl-2-thiophen-3-yl-3-(2,2,2-trifluoroethyl)imidazolidin-4-one (PubChem CID 113225393) has the molecular formula C10H11F3N2OS and a molecular weight of 264.27 g/mol. Its IUPAC name is 5-methyl-2-thiophen-3-yl-3-(2,2,2-trifluoroethyl)imidazolidin-4-one.

Molecular Properties

Compound Name5-methyl-2-thiophen-3-yl-3-(2,2,2-trifluoroethyl)imidazolidin-4-one
PubChem CID113225393
Molecular FormulaC10H11F3N2OS
Molecular Weight264.27 g/mol
Exact Mass264.05
IUPAC Name5-methyl-2-thiophen-3-yl-3-(2,2,2-trifluoroethyl)imidazolidin-4-one
SMILESCC1NC(c2ccsc2)N(CC(F)(F)F)C1=O
InChIInChI=1S/C10H11F3N2OS/c1-6-9(16)15(5-10(11,12)13)8(14-6)7-2-3-17-4-7/h2-4,6,8,14H,5H2,1H3
InChIKeyYXKQHGSNQQINCK-UHFFFAOYSA-N
XLogP2.13
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.27
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-thiophen-3-yl-3-(2,2,2-trifluoroethyl)imidazolidin-4-one?
The IUPAC name of 5-methyl-2-thiophen-3-yl-3-(2,2,2-trifluoroethyl)imidazolidin-4-one (CID 113225393) is 5-methyl-2-thiophen-3-yl-3-(2,2,2-trifluoroethyl)imidazolidin-4-one.
What is the SMILES notation for 5-methyl-2-thiophen-3-yl-3-(2,2,2-trifluoroethyl)imidazolidin-4-one?
The canonical SMILES for 5-methyl-2-thiophen-3-yl-3-(2,2,2-trifluoroethyl)imidazolidin-4-one is CC1NC(c2ccsc2)N(CC(F)(F)F)C1=O.
What is the InChIKey of 5-methyl-2-thiophen-3-yl-3-(2,2,2-trifluoroethyl)imidazolidin-4-one?
The InChIKey is YXKQHGSNQQINCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N2OS/c1-6-9(16)15(5-10(11,12)13)8(14-6)7-2-3-17-4-7/h2-4,6,8,14H,5H2,1H3.
What are the key properties of 5-methyl-2-thiophen-3-yl-3-(2,2,2-trifluoroethyl)imidazolidin-4-one?
5-methyl-2-thiophen-3-yl-3-(2,2,2-trifluoroethyl)imidazolidin-4-one has a molecular weight of 264.27 g/mol, XLogP of 2.13, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-thiophen-3-yl-3-(2,2,2-trifluoroethyl)imidazolidin-4-one is sourced from PubChem (CID 113225393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).