3-[1-(oxolan-2-yl)ethyl]-2-thiophen-3-ylimidazolidin-4-one

C13H18N2O2S — CID 83244460

IUPAC3-[1-(oxolan-2-yl)ethyl]-2-thiophen-3-ylimidazolidin-4-one
SMILESCC(C1CCCO1)N1C(=O)CNC1c1ccsc1
InChIInChI=1S/C13H18N2O2S/c1-9(11-3-2-5-17-11)15-12(16)7-14-13(15)10-4-6-18-8-10/h4,6,8-9,11,13-14H,2-3,5,7H2,1H3
InChIKeyQCBGGAKMZINSIE-UHFFFAOYSA-N
MW266.37 g/mol
LogP1.75
Rot. Bonds3

About 3-[1-(oxolan-2-yl)ethyl]-2-thiophen-3-ylimidazolidin-4-one

3-[1-(oxolan-2-yl)ethyl]-2-thiophen-3-ylimidazolidin-4-one (PubChem CID 83244460) has the molecular formula C13H18N2O2S and a molecular weight of 266.37 g/mol. Its IUPAC name is 3-[1-(oxolan-2-yl)ethyl]-2-thiophen-3-ylimidazolidin-4-one.

Molecular Properties

Compound Name3-[1-(oxolan-2-yl)ethyl]-2-thiophen-3-ylimidazolidin-4-one
PubChem CID83244460
Molecular FormulaC13H18N2O2S
Molecular Weight266.37 g/mol
Exact Mass266.11
IUPAC Name3-[1-(oxolan-2-yl)ethyl]-2-thiophen-3-ylimidazolidin-4-one
SMILESCC(C1CCCO1)N1C(=O)CNC1c1ccsc1
InChIInChI=1S/C13H18N2O2S/c1-9(11-3-2-5-17-11)15-12(16)7-14-13(15)10-4-6-18-8-10/h4,6,8-9,11,13-14H,2-3,5,7H2,1H3
InChIKeyQCBGGAKMZINSIE-UHFFFAOYSA-N
XLogP1.75
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.37
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-fluorophenyl)-3-[1-(oxolan-2-yl)ethyl]imidazolidin-4-one
CID 83244287
2-ethyl-3-[1-(oxolan-2-yl)ethyl]imidazolidin-4-one
CID 83244288
3-[4-(dimethylamino)butan-2-yl]-2-thiophen-3-ylimidazolidin-4-one
CID 83249965
3-(1-methoxybutan-2-yl)-2-thiophen-3-ylimidazolidin-4-one
CID 83258634
3-(2-methoxypropyl)-2-thiophen-3-ylimidazolidin-4-one
CID 102702005
3-(2-methyl-3-pyrrolidin-1-ylpropyl)-2-thiophen-3-ylimidazolidin-4-one
CID 83255014
(2S)-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]-2-thiophen-3-ylpyrrolidine-1-carboxamide
CID 100836452
3-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-2-thiophen-3-ylimidazolidin-4-one
CID 83256663
3-(1-cyclohexylethyl)-2-(4-methylphenyl)imidazolidin-4-one
CID 83249814
3-[(4-ethylcyclohexyl)methyl]-2-thiophen-3-ylimidazolidin-4-one
CID 83254067
2-(4-chlorophenyl)-3-(1-cyclopropylethyl)imidazolidin-4-one
CID 83244273
3-[(1-methylpiperidin-4-yl)methyl]-2-thiophen-3-ylimidazolidin-4-one
CID 83249330

Frequently Asked Questions

What is the IUPAC name of 3-[1-(oxolan-2-yl)ethyl]-2-thiophen-3-ylimidazolidin-4-one?
The IUPAC name of 3-[1-(oxolan-2-yl)ethyl]-2-thiophen-3-ylimidazolidin-4-one (CID 83244460) is 3-[1-(oxolan-2-yl)ethyl]-2-thiophen-3-ylimidazolidin-4-one.
What is the SMILES notation for 3-[1-(oxolan-2-yl)ethyl]-2-thiophen-3-ylimidazolidin-4-one?
The canonical SMILES for 3-[1-(oxolan-2-yl)ethyl]-2-thiophen-3-ylimidazolidin-4-one is CC(C1CCCO1)N1C(=O)CNC1c1ccsc1.
What is the InChIKey of 3-[1-(oxolan-2-yl)ethyl]-2-thiophen-3-ylimidazolidin-4-one?
The InChIKey is QCBGGAKMZINSIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2S/c1-9(11-3-2-5-17-11)15-12(16)7-14-13(15)10-4-6-18-8-10/h4,6,8-9,11,13-14H,2-3,5,7H2,1H3.
What are the key properties of 3-[1-(oxolan-2-yl)ethyl]-2-thiophen-3-ylimidazolidin-4-one?
3-[1-(oxolan-2-yl)ethyl]-2-thiophen-3-ylimidazolidin-4-one has a molecular weight of 266.37 g/mol, XLogP of 1.75, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(oxolan-2-yl)ethyl]-2-thiophen-3-ylimidazolidin-4-one is sourced from PubChem (CID 83244460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).