2-thiophen-3-yl-3-(3,3,3-trifluoropropyl)imidazolidin-4-one

C10H11F3N2OS — CID 83254696

IUPAC2-thiophen-3-yl-3-(3,3,3-trifluoropropyl)imidazolidin-4-one
SMILESO=C1CNC(c2ccsc2)N1CCC(F)(F)F
InChIInChI=1S/C10H11F3N2OS/c11-10(12,13)2-3-15-8(16)5-14-9(15)7-1-4-17-6-7/h1,4,6,9,14H,2-3,5H2
InChIKeyZWRUGJQASPXKFR-UHFFFAOYSA-N
MW264.27 g/mol
LogP2.13
Rot. Bonds3

About 2-thiophen-3-yl-3-(3,3,3-trifluoropropyl)imidazolidin-4-one

2-thiophen-3-yl-3-(3,3,3-trifluoropropyl)imidazolidin-4-one (PubChem CID 83254696) has the molecular formula C10H11F3N2OS and a molecular weight of 264.27 g/mol. Its IUPAC name is 2-thiophen-3-yl-3-(3,3,3-trifluoropropyl)imidazolidin-4-one.

Molecular Properties

Compound Name2-thiophen-3-yl-3-(3,3,3-trifluoropropyl)imidazolidin-4-one
PubChem CID83254696
Molecular FormulaC10H11F3N2OS
Molecular Weight264.27 g/mol
Exact Mass264.05
IUPAC Name2-thiophen-3-yl-3-(3,3,3-trifluoropropyl)imidazolidin-4-one
SMILESO=C1CNC(c2ccsc2)N1CCC(F)(F)F
InChIInChI=1S/C10H11F3N2OS/c11-10(12,13)2-3-15-8(16)5-14-9(15)7-1-4-17-6-7/h1,4,6,9,14H,2-3,5H2
InChIKeyZWRUGJQASPXKFR-UHFFFAOYSA-N
XLogP2.13
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
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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Related Compounds

3-(3-methylsulfonylpropyl)-2-thiophen-3-ylimidazolidin-4-one
CID 83247903
2-(4-propan-2-ylphenyl)-3-(3,3,3-trifluoropropyl)imidazolidin-4-one
CID 83248898
2-(4-methoxyphenyl)-3-(3,3,3-trifluoropropyl)imidazolidin-4-one
CID 83255096
3-(3-ethoxypropyl)-2-thiophen-3-ylimidazolidin-4-one
CID 83238001
3-[(1-methylpiperidin-4-yl)methyl]-2-thiophen-3-ylimidazolidin-4-one
CID 83249330
3-[(1-methylpyrrolidin-3-yl)methyl]-2-thiophen-3-ylimidazolidin-4-one
CID 83255795
3-[(4-ethylcyclohexyl)methyl]-2-thiophen-3-ylimidazolidin-4-one
CID 83254067
3-(2-methoxypropyl)-2-thiophen-3-ylimidazolidin-4-one
CID 102702005
3-[2-(3-methylcyclohexyl)ethyl]-2-thiophen-3-ylimidazolidin-4-one
CID 83264612
2-(4-methylphenyl)-3-(4,4,4-trifluorobutyl)imidazolidin-4-one
CID 83259867
3-(2-methyl-3-pyrrolidin-1-ylpropyl)-2-thiophen-3-ylimidazolidin-4-one
CID 83255014
5-methyl-2-thiophen-3-yl-3-(5,5,5-trifluoropentyl)imidazolidin-4-one
CID 83259776

Frequently Asked Questions

What is the IUPAC name of 2-thiophen-3-yl-3-(3,3,3-trifluoropropyl)imidazolidin-4-one?
The IUPAC name of 2-thiophen-3-yl-3-(3,3,3-trifluoropropyl)imidazolidin-4-one (CID 83254696) is 2-thiophen-3-yl-3-(3,3,3-trifluoropropyl)imidazolidin-4-one.
What is the SMILES notation for 2-thiophen-3-yl-3-(3,3,3-trifluoropropyl)imidazolidin-4-one?
The canonical SMILES for 2-thiophen-3-yl-3-(3,3,3-trifluoropropyl)imidazolidin-4-one is O=C1CNC(c2ccsc2)N1CCC(F)(F)F.
What is the InChIKey of 2-thiophen-3-yl-3-(3,3,3-trifluoropropyl)imidazolidin-4-one?
The InChIKey is ZWRUGJQASPXKFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N2OS/c11-10(12,13)2-3-15-8(16)5-14-9(15)7-1-4-17-6-7/h1,4,6,9,14H,2-3,5H2.
What are the key properties of 2-thiophen-3-yl-3-(3,3,3-trifluoropropyl)imidazolidin-4-one?
2-thiophen-3-yl-3-(3,3,3-trifluoropropyl)imidazolidin-4-one has a molecular weight of 264.27 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-thiophen-3-yl-3-(3,3,3-trifluoropropyl)imidazolidin-4-one is sourced from PubChem (CID 83254696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).