3-[2-(4-methylcyclohexyl)ethyl]-2-thiophen-2-ylimidazolidin-4-one

C16H24N2OS — CID 83264924

IUPAC3-[2-(4-methylcyclohexyl)ethyl]-2-thiophen-2-ylimidazolidin-4-one
SMILESCC1CCC(CCN2C(=O)CNC2c2cccs2)CC1
InChIInChI=1S/C16H24N2OS/c1-12-4-6-13(7-5-12)8-9-18-15(19)11-17-16(18)14-3-2-10-20-14/h2-3,10,12-13,16-17H,4-9,11H2,1H3
InChIKeyGKBBSTJLDXLFJK-UHFFFAOYSA-N
MW292.45 g/mol
LogP3.39
Rot. Bonds4

About 3-[2-(4-methylcyclohexyl)ethyl]-2-thiophen-2-ylimidazolidin-4-one

3-[2-(4-methylcyclohexyl)ethyl]-2-thiophen-2-ylimidazolidin-4-one (PubChem CID 83264924) has the molecular formula C16H24N2OS and a molecular weight of 292.45 g/mol. Its IUPAC name is 3-[2-(4-methylcyclohexyl)ethyl]-2-thiophen-2-ylimidazolidin-4-one.

Molecular Properties

Compound Name3-[2-(4-methylcyclohexyl)ethyl]-2-thiophen-2-ylimidazolidin-4-one
PubChem CID83264924
Molecular FormulaC16H24N2OS
Molecular Weight292.45 g/mol
Exact Mass292.16
IUPAC Name3-[2-(4-methylcyclohexyl)ethyl]-2-thiophen-2-ylimidazolidin-4-one
SMILESCC1CCC(CCN2C(=O)CNC2c2cccs2)CC1
InChIInChI=1S/C16H24N2OS/c1-12-4-6-13(7-5-12)8-9-18-15(19)11-17-16(18)14-3-2-10-20-14/h2-3,10,12-13,16-17H,4-9,11H2,1H3
InChIKeyGKBBSTJLDXLFJK-UHFFFAOYSA-N
XLogP3.39
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.45
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-(1-methylpiperidin-4-yl)ethyl]-2-thiophen-2-ylimidazolidin-4-one
CID 114517080
3-(2-cyclohexylethyl)-2-thiophen-2-ylimidazolidin-4-one
CID 83256115
3-[2-(4-methylcyclohexyl)ethyl]-2-(5-methylthiophen-2-yl)imidazolidin-4-one
CID 83262823
3-(cyclopropylmethyl)-2-thiophen-2-ylimidazolidin-4-one
CID 83251666
3-(cyclobutylmethyl)-2-thiophen-2-ylimidazolidin-4-one
CID 83243977
3-(5-methylhexyl)-2-thiophen-2-ylimidazolidin-4-one
CID 83260430
3-(2-cyclohexylethyl)-5-methyl-2-thiophen-2-ylimidazolidin-4-one
CID 83256694
3-[[1-(dimethylamino)cyclobutyl]methyl]-2-thiophen-2-ylimidazolidin-4-one
CID 105421086
3-(3-cyclopentylpropyl)-5-methyl-2-thiophen-2-ylimidazolidin-4-one
CID 106011241
3-(2-cyclopropylethyl)-2-(4-methoxyphenyl)imidazolidin-4-one
CID 83259179
3-(2-methylcycloheptyl)-2-thiophen-2-ylimidazolidin-4-one
CID 83258933
3-(2-cyclohexylethyl)-5-ethyl-2-thiophen-2-ylimidazolidin-4-one
CID 83246276

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-methylcyclohexyl)ethyl]-2-thiophen-2-ylimidazolidin-4-one?
The IUPAC name of 3-[2-(4-methylcyclohexyl)ethyl]-2-thiophen-2-ylimidazolidin-4-one (CID 83264924) is 3-[2-(4-methylcyclohexyl)ethyl]-2-thiophen-2-ylimidazolidin-4-one.
What is the SMILES notation for 3-[2-(4-methylcyclohexyl)ethyl]-2-thiophen-2-ylimidazolidin-4-one?
The canonical SMILES for 3-[2-(4-methylcyclohexyl)ethyl]-2-thiophen-2-ylimidazolidin-4-one is CC1CCC(CCN2C(=O)CNC2c2cccs2)CC1.
What is the InChIKey of 3-[2-(4-methylcyclohexyl)ethyl]-2-thiophen-2-ylimidazolidin-4-one?
The InChIKey is GKBBSTJLDXLFJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2OS/c1-12-4-6-13(7-5-12)8-9-18-15(19)11-17-16(18)14-3-2-10-20-14/h2-3,10,12-13,16-17H,4-9,11H2,1H3.
What are the key properties of 3-[2-(4-methylcyclohexyl)ethyl]-2-thiophen-2-ylimidazolidin-4-one?
3-[2-(4-methylcyclohexyl)ethyl]-2-thiophen-2-ylimidazolidin-4-one has a molecular weight of 292.45 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-methylcyclohexyl)ethyl]-2-thiophen-2-ylimidazolidin-4-one is sourced from PubChem (CID 83264924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).