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

C16H24N2OS — CID 83264612

IUPAC3-[2-(3-methylcyclohexyl)ethyl]-2-thiophen-3-ylimidazolidin-4-one
SMILESCC1CCCC(CCN2C(=O)CNC2c2ccsc2)C1
InChIInChI=1S/C16H24N2OS/c1-12-3-2-4-13(9-12)5-7-18-15(19)10-17-16(18)14-6-8-20-11-14/h6,8,11-13,16-17H,2-5,7,9-10H2,1H3
InChIKeyZYWVEWPITIPORQ-UHFFFAOYSA-N
MW292.45 g/mol
LogP3.39
Rot. Bonds4

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

3-[2-(3-methylcyclohexyl)ethyl]-2-thiophen-3-ylimidazolidin-4-one (PubChem CID 83264612) has the molecular formula C16H24N2OS and a molecular weight of 292.45 g/mol. Its IUPAC name is 3-[2-(3-methylcyclohexyl)ethyl]-2-thiophen-3-ylimidazolidin-4-one.

Molecular Properties

Compound Name3-[2-(3-methylcyclohexyl)ethyl]-2-thiophen-3-ylimidazolidin-4-one
PubChem CID83264612
Molecular FormulaC16H24N2OS
Molecular Weight292.45 g/mol
Exact Mass292.16
IUPAC Name3-[2-(3-methylcyclohexyl)ethyl]-2-thiophen-3-ylimidazolidin-4-one
SMILESCC1CCCC(CCN2C(=O)CNC2c2ccsc2)C1
InChIInChI=1S/C16H24N2OS/c1-12-3-2-4-13(9-12)5-7-18-15(19)10-17-16(18)14-6-8-20-11-14/h6,8,11-13,16-17H,2-5,7,9-10H2,1H3
InChIKeyZYWVEWPITIPORQ-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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Frequently Asked Questions

What is the IUPAC name of 3-[2-(3-methylcyclohexyl)ethyl]-2-thiophen-3-ylimidazolidin-4-one?
The IUPAC name of 3-[2-(3-methylcyclohexyl)ethyl]-2-thiophen-3-ylimidazolidin-4-one (CID 83264612) is 3-[2-(3-methylcyclohexyl)ethyl]-2-thiophen-3-ylimidazolidin-4-one.
What is the SMILES notation for 3-[2-(3-methylcyclohexyl)ethyl]-2-thiophen-3-ylimidazolidin-4-one?
The canonical SMILES for 3-[2-(3-methylcyclohexyl)ethyl]-2-thiophen-3-ylimidazolidin-4-one is CC1CCCC(CCN2C(=O)CNC2c2ccsc2)C1.
What is the InChIKey of 3-[2-(3-methylcyclohexyl)ethyl]-2-thiophen-3-ylimidazolidin-4-one?
The InChIKey is ZYWVEWPITIPORQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2OS/c1-12-3-2-4-13(9-12)5-7-18-15(19)10-17-16(18)14-6-8-20-11-14/h6,8,11-13,16-17H,2-5,7,9-10H2,1H3.
What are the key properties of 3-[2-(3-methylcyclohexyl)ethyl]-2-thiophen-3-ylimidazolidin-4-one?
3-[2-(3-methylcyclohexyl)ethyl]-2-thiophen-3-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-(3-methylcyclohexyl)ethyl]-2-thiophen-3-ylimidazolidin-4-one is sourced from PubChem (CID 83264612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).