5-methyl-3-(oxolan-3-yl)-2-thiophen-2-ylimidazolidin-4-one

C12H16N2O2S — CID 83270215

IUPAC5-methyl-3-(oxolan-3-yl)-2-thiophen-2-ylimidazolidin-4-one
SMILESCC1NC(c2cccs2)N(C2CCOC2)C1=O
InChIInChI=1S/C12H16N2O2S/c1-8-12(15)14(9-4-5-16-7-9)11(13-8)10-3-2-6-17-10/h2-3,6,8-9,11,13H,4-5,7H2,1H3
InChIKeyUGUQQDOHQFFTQV-UHFFFAOYSA-N
MW252.34 g/mol
LogP1.36
Rot. Bonds2

About 5-methyl-3-(oxolan-3-yl)-2-thiophen-2-ylimidazolidin-4-one

5-methyl-3-(oxolan-3-yl)-2-thiophen-2-ylimidazolidin-4-one (PubChem CID 83270215) has the molecular formula C12H16N2O2S and a molecular weight of 252.34 g/mol. Its IUPAC name is 5-methyl-3-(oxolan-3-yl)-2-thiophen-2-ylimidazolidin-4-one.

Molecular Properties

Compound Name5-methyl-3-(oxolan-3-yl)-2-thiophen-2-ylimidazolidin-4-one
PubChem CID83270215
Molecular FormulaC12H16N2O2S
Molecular Weight252.34 g/mol
Exact Mass252.09
IUPAC Name5-methyl-3-(oxolan-3-yl)-2-thiophen-2-ylimidazolidin-4-one
SMILESCC1NC(c2cccs2)N(C2CCOC2)C1=O
InChIInChI=1S/C12H16N2O2S/c1-8-12(15)14(9-4-5-16-7-9)11(13-8)10-3-2-6-17-10/h2-3,6,8-9,11,13H,4-5,7H2,1H3
InChIKeyUGUQQDOHQFFTQV-UHFFFAOYSA-N
XLogP1.36
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.34
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-cyclopentyl-5-methyl-2-thiophen-2-ylimidazolidin-4-one
CID 83243098
5-butyl-3-(oxolan-3-yl)-2-thiophen-2-ylimidazolidin-4-one
CID 83271009
5-methyl-3-(1-methylpyrrolidin-3-yl)-2-thiophen-2-ylimidazolidin-4-one
CID 83249925
5-methyl-2-(4-nitrophenyl)-3-(oxolan-3-yl)imidazolidin-4-one
CID 83267221
2-(3-methoxyphenyl)-5-methyl-3-(oxolan-3-yl)imidazolidin-4-one
CID 83270932
5-methyl-3-(7-oxabicyclo[2.2.1]heptan-2-yl)-2-thiophen-2-ylimidazolidin-4-one
CID 83270697
2-(2,5-dimethylphenyl)-5-methyl-3-(oxolan-3-yl)imidazolidin-4-one
CID 83270445
3-(2-methoxycyclopentyl)-5-methyl-2-thiophen-2-ylimidazolidin-4-one
CID 83254151
5-ethyl-3-(4-methylcyclohexyl)-2-thiophen-2-ylimidazolidin-4-one
CID 83239488
2-(4-chlorophenyl)-5-methyl-3-(oxan-4-yl)imidazolidin-4-one
CID 83256838
3-cyclohexyl-5-propan-2-yl-2-thiophen-2-ylimidazolidin-4-one
CID 83242357
3-(2-methyloxolan-3-yl)-5-propan-2-yl-2-thiophen-2-ylimidazolidin-4-one
CID 83260026

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-(oxolan-3-yl)-2-thiophen-2-ylimidazolidin-4-one?
The IUPAC name of 5-methyl-3-(oxolan-3-yl)-2-thiophen-2-ylimidazolidin-4-one (CID 83270215) is 5-methyl-3-(oxolan-3-yl)-2-thiophen-2-ylimidazolidin-4-one.
What is the SMILES notation for 5-methyl-3-(oxolan-3-yl)-2-thiophen-2-ylimidazolidin-4-one?
The canonical SMILES for 5-methyl-3-(oxolan-3-yl)-2-thiophen-2-ylimidazolidin-4-one is CC1NC(c2cccs2)N(C2CCOC2)C1=O.
What is the InChIKey of 5-methyl-3-(oxolan-3-yl)-2-thiophen-2-ylimidazolidin-4-one?
The InChIKey is UGUQQDOHQFFTQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2S/c1-8-12(15)14(9-4-5-16-7-9)11(13-8)10-3-2-6-17-10/h2-3,6,8-9,11,13H,4-5,7H2,1H3.
What are the key properties of 5-methyl-3-(oxolan-3-yl)-2-thiophen-2-ylimidazolidin-4-one?
5-methyl-3-(oxolan-3-yl)-2-thiophen-2-ylimidazolidin-4-one has a molecular weight of 252.34 g/mol, XLogP of 1.36, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-(oxolan-3-yl)-2-thiophen-2-ylimidazolidin-4-one is sourced from PubChem (CID 83270215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).