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

C13H17F3N2OS — CID 83259776

IUPAC5-methyl-2-thiophen-3-yl-3-(5,5,5-trifluoropentyl)imidazolidin-4-one
SMILESCC1NC(c2ccsc2)N(CCCCC(F)(F)F)C1=O
InChIInChI=1S/C13H17F3N2OS/c1-9-12(19)18(6-3-2-5-13(14,15)16)11(17-9)10-4-7-20-8-10/h4,7-9,11,17H,2-3,5-6H2,1H3
InChIKeyMAECLUAFWORGSE-UHFFFAOYSA-N
MW306.35 g/mol
LogP3.30
Rot. Bonds5

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

5-methyl-2-thiophen-3-yl-3-(5,5,5-trifluoropentyl)imidazolidin-4-one (PubChem CID 83259776) has the molecular formula C13H17F3N2OS and a molecular weight of 306.35 g/mol. Its IUPAC name is 5-methyl-2-thiophen-3-yl-3-(5,5,5-trifluoropentyl)imidazolidin-4-one.

Molecular Properties

Compound Name5-methyl-2-thiophen-3-yl-3-(5,5,5-trifluoropentyl)imidazolidin-4-one
PubChem CID83259776
Molecular FormulaC13H17F3N2OS
Molecular Weight306.35 g/mol
Exact Mass306.10
IUPAC Name5-methyl-2-thiophen-3-yl-3-(5,5,5-trifluoropentyl)imidazolidin-4-one
SMILESCC1NC(c2ccsc2)N(CCCCC(F)(F)F)C1=O
InChIInChI=1S/C13H17F3N2OS/c1-9-12(19)18(6-3-2-5-13(14,15)16)11(17-9)10-4-7-20-8-10/h4,7-9,11,17H,2-3,5-6H2,1H3
InChIKeyMAECLUAFWORGSE-UHFFFAOYSA-N
XLogP3.30
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.35
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 5-methyl-2-thiophen-3-yl-3-(5,5,5-trifluoropentyl)imidazolidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-methyl-2-thiophen-3-yl-3-(2,2,2-trifluoroethyl)imidazolidin-4-one
CID 113225393
5-methyl-3-(2-pyrrolidin-1-ylethyl)-2-thiophen-3-ylimidazolidin-4-one
CID 83251904
5-methyl-3-[2-(1-methylpiperidin-4-yl)ethyl]-2-thiophen-3-ylimidazolidin-4-one
CID 114517110
5-methyl-3-(2-piperidin-1-ylethyl)-2-thiophen-3-ylimidazolidin-4-one
CID 83245085
2-(3-fluorophenyl)-5-methyl-3-(4,4,4-trifluorobutyl)imidazolidin-4-one
CID 83267017
3,5-dimethyl-2-thiophen-3-ylimidazolidin-4-one
CID 83260781
5-methyl-3-[(1-methylcyclobutyl)methyl]-2-thiophen-3-ylimidazolidin-4-one
CID 114109735
3-(2-cyclohexyloxyethyl)-5-methyl-2-thiophen-3-ylimidazolidin-4-one
CID 83262920
2-(4-ethylphenyl)-5-methyl-3-(3,3,3-trifluoropropyl)imidazolidin-4-one
CID 83248818
5-methyl-3-[2-(oxan-2-yl)ethyl]-2-thiophen-3-ylimidazolidin-4-one
CID 106000166
5-methyl-2-(5-methylthiophen-2-yl)-3-(3,3,3-trifluoropropyl)imidazolidin-4-one
CID 83255175
2-thiophen-3-yl-3-(3,3,3-trifluoropropyl)imidazolidin-4-one
CID 83254696

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-thiophen-3-yl-3-(5,5,5-trifluoropentyl)imidazolidin-4-one?
The IUPAC name of 5-methyl-2-thiophen-3-yl-3-(5,5,5-trifluoropentyl)imidazolidin-4-one (CID 83259776) is 5-methyl-2-thiophen-3-yl-3-(5,5,5-trifluoropentyl)imidazolidin-4-one.
What is the SMILES notation for 5-methyl-2-thiophen-3-yl-3-(5,5,5-trifluoropentyl)imidazolidin-4-one?
The canonical SMILES for 5-methyl-2-thiophen-3-yl-3-(5,5,5-trifluoropentyl)imidazolidin-4-one is CC1NC(c2ccsc2)N(CCCCC(F)(F)F)C1=O.
What is the InChIKey of 5-methyl-2-thiophen-3-yl-3-(5,5,5-trifluoropentyl)imidazolidin-4-one?
The InChIKey is MAECLUAFWORGSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N2OS/c1-9-12(19)18(6-3-2-5-13(14,15)16)11(17-9)10-4-7-20-8-10/h4,7-9,11,17H,2-3,5-6H2,1H3.
What are the key properties of 5-methyl-2-thiophen-3-yl-3-(5,5,5-trifluoropentyl)imidazolidin-4-one?
5-methyl-2-thiophen-3-yl-3-(5,5,5-trifluoropentyl)imidazolidin-4-one has a molecular weight of 306.35 g/mol, XLogP of 3.30, 5 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-(5,5,5-trifluoropentyl)imidazolidin-4-one is sourced from PubChem (CID 83259776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).