3-(3-ethylcyclohexyl)-2-thiophen-2-ylimidazolidin-4-one

C15H22N2OS — CID 83258963

IUPAC3-(3-ethylcyclohexyl)-2-thiophen-2-ylimidazolidin-4-one
SMILESCCC1CCCC(N2C(=O)CNC2c2cccs2)C1
InChIInChI=1S/C15H22N2OS/c1-2-11-5-3-6-12(9-11)17-14(18)10-16-15(17)13-7-4-8-19-13/h4,7-8,11-12,15-16H,2-3,5-6,9-10H2,1H3
InChIKeyDLKUXNLXWCCQHX-UHFFFAOYSA-N
MW278.42 g/mol
LogP3.15
Rot. Bonds3

About 3-(3-ethylcyclohexyl)-2-thiophen-2-ylimidazolidin-4-one

3-(3-ethylcyclohexyl)-2-thiophen-2-ylimidazolidin-4-one (PubChem CID 83258963) has the molecular formula C15H22N2OS and a molecular weight of 278.42 g/mol. Its IUPAC name is 3-(3-ethylcyclohexyl)-2-thiophen-2-ylimidazolidin-4-one.

Molecular Properties

Compound Name3-(3-ethylcyclohexyl)-2-thiophen-2-ylimidazolidin-4-one
PubChem CID83258963
Molecular FormulaC15H22N2OS
Molecular Weight278.42 g/mol
Exact Mass278.15
IUPAC Name3-(3-ethylcyclohexyl)-2-thiophen-2-ylimidazolidin-4-one
SMILESCCC1CCCC(N2C(=O)CNC2c2cccs2)C1
InChIInChI=1S/C15H22N2OS/c1-2-11-5-3-6-12(9-11)17-14(18)10-16-15(17)13-7-4-8-19-13/h4,7-8,11-12,15-16H,2-3,5-6,9-10H2,1H3
InChIKeyDLKUXNLXWCCQHX-UHFFFAOYSA-N
XLogP3.15
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.42
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-2-thiophen-2-ylimidazolidin-4-one
CID 83264573
3-(3-ethylcyclohexyl)-2-(4-methylphenyl)imidazolidin-4-one
CID 83266710
3-(1,1-dioxothian-4-yl)-2-thiophen-2-ylimidazolidin-4-one
CID 83244118
3-(cyclobutylmethyl)-2-thiophen-2-ylimidazolidin-4-one
CID 83243977
3-(1-oxothian-4-yl)-2-thiophen-2-ylimidazolidin-4-one
CID 113480754
3-(2-methylcycloheptyl)-2-thiophen-2-ylimidazolidin-4-one
CID 83258933
3-(2-cyclohexylethyl)-2-thiophen-2-ylimidazolidin-4-one
CID 83256115
3-(cyclopropylmethyl)-2-thiophen-2-ylimidazolidin-4-one
CID 83251666
3-cyclobutyl-2-(5-methylthiophen-2-yl)imidazolidin-4-one
CID 83254899
3-butan-2-yl-2-thiophen-2-ylimidazolidin-4-one
CID 83239756
3-(3-methylbutan-2-yl)-2-thiophen-2-ylimidazolidin-4-one
CID 83251011
2-thiophen-2-yl-3-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)imidazolidin-4-one
CID 83267441

Frequently Asked Questions

What is the IUPAC name of 3-(3-ethylcyclohexyl)-2-thiophen-2-ylimidazolidin-4-one?
The IUPAC name of 3-(3-ethylcyclohexyl)-2-thiophen-2-ylimidazolidin-4-one (CID 83258963) is 3-(3-ethylcyclohexyl)-2-thiophen-2-ylimidazolidin-4-one.
What is the SMILES notation for 3-(3-ethylcyclohexyl)-2-thiophen-2-ylimidazolidin-4-one?
The canonical SMILES for 3-(3-ethylcyclohexyl)-2-thiophen-2-ylimidazolidin-4-one is CCC1CCCC(N2C(=O)CNC2c2cccs2)C1.
What is the InChIKey of 3-(3-ethylcyclohexyl)-2-thiophen-2-ylimidazolidin-4-one?
The InChIKey is DLKUXNLXWCCQHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2OS/c1-2-11-5-3-6-12(9-11)17-14(18)10-16-15(17)13-7-4-8-19-13/h4,7-8,11-12,15-16H,2-3,5-6,9-10H2,1H3.
What are the key properties of 3-(3-ethylcyclohexyl)-2-thiophen-2-ylimidazolidin-4-one?
3-(3-ethylcyclohexyl)-2-thiophen-2-ylimidazolidin-4-one has a molecular weight of 278.42 g/mol, XLogP of 3.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethylcyclohexyl)-2-thiophen-2-ylimidazolidin-4-one is sourced from PubChem (CID 83258963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).