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

C12H18N2O2S — CID 83238001

IUPAC3-(3-ethoxypropyl)-2-thiophen-3-ylimidazolidin-4-one
SMILESCCOCCCN1C(=O)CNC1c1ccsc1
InChIInChI=1S/C12H18N2O2S/c1-2-16-6-3-5-14-11(15)8-13-12(14)10-4-7-17-9-10/h4,7,9,12-13H,2-3,5-6,8H2,1H3
InChIKeyDFGAJVAYAXHHKR-UHFFFAOYSA-N
MW254.35 g/mol
LogP1.61
Rot. Bonds6

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

3-(3-ethoxypropyl)-2-thiophen-3-ylimidazolidin-4-one (PubChem CID 83238001) has the molecular formula C12H18N2O2S and a molecular weight of 254.35 g/mol. Its IUPAC name is 3-(3-ethoxypropyl)-2-thiophen-3-ylimidazolidin-4-one.

Molecular Properties

Compound Name3-(3-ethoxypropyl)-2-thiophen-3-ylimidazolidin-4-one
PubChem CID83238001
Molecular FormulaC12H18N2O2S
Molecular Weight254.35 g/mol
Exact Mass254.11
IUPAC Name3-(3-ethoxypropyl)-2-thiophen-3-ylimidazolidin-4-one
SMILESCCOCCCN1C(=O)CNC1c1ccsc1
InChIInChI=1S/C12H18N2O2S/c1-2-16-6-3-5-14-11(15)8-13-12(14)10-4-7-17-9-10/h4,7,9,12-13H,2-3,5-6,8H2,1H3
InChIKeyDFGAJVAYAXHHKR-UHFFFAOYSA-N
XLogP1.61
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.35
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(3-methylsulfonylpropyl)-2-thiophen-3-ylimidazolidin-4-one
CID 83247903
3-[(4-ethylcyclohexyl)methyl]-2-thiophen-3-ylimidazolidin-4-one
CID 83254067
3-[(1-methylpiperidin-4-yl)methyl]-2-thiophen-3-ylimidazolidin-4-one
CID 83249330
2-thiophen-3-yl-3-(3,3,3-trifluoropropyl)imidazolidin-4-one
CID 83254696
3-[(1-methylpyrrolidin-3-yl)methyl]-2-thiophen-3-ylimidazolidin-4-one
CID 83255795
3-(2-ethoxyethyl)-2-(4-methylphenyl)imidazolidin-4-one
CID 83238354
3-(2-methoxypropyl)-2-thiophen-3-ylimidazolidin-4-one
CID 102702005
2-(4-fluorophenyl)-3-(3-propoxypropyl)imidazolidin-4-one
CID 83260276
3-[2-(3-methylcyclohexyl)ethyl]-2-thiophen-3-ylimidazolidin-4-one
CID 83264612
3-(3-ethoxypropyl)-2-ethylimidazolidin-4-one
CID 83236752
3-(2-ethoxyethyl)-2-(4-propoxyphenyl)imidazolidin-4-one
CID 83232922
3-(1-methoxybutan-2-yl)-2-thiophen-3-ylimidazolidin-4-one
CID 83258634

Frequently Asked Questions

What is the IUPAC name of 3-(3-ethoxypropyl)-2-thiophen-3-ylimidazolidin-4-one?
The IUPAC name of 3-(3-ethoxypropyl)-2-thiophen-3-ylimidazolidin-4-one (CID 83238001) is 3-(3-ethoxypropyl)-2-thiophen-3-ylimidazolidin-4-one.
What is the SMILES notation for 3-(3-ethoxypropyl)-2-thiophen-3-ylimidazolidin-4-one?
The canonical SMILES for 3-(3-ethoxypropyl)-2-thiophen-3-ylimidazolidin-4-one is CCOCCCN1C(=O)CNC1c1ccsc1.
What is the InChIKey of 3-(3-ethoxypropyl)-2-thiophen-3-ylimidazolidin-4-one?
The InChIKey is DFGAJVAYAXHHKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2S/c1-2-16-6-3-5-14-11(15)8-13-12(14)10-4-7-17-9-10/h4,7,9,12-13H,2-3,5-6,8H2,1H3.
What are the key properties of 3-(3-ethoxypropyl)-2-thiophen-3-ylimidazolidin-4-one?
3-(3-ethoxypropyl)-2-thiophen-3-ylimidazolidin-4-one has a molecular weight of 254.35 g/mol, XLogP of 1.61, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethoxypropyl)-2-thiophen-3-ylimidazolidin-4-one is sourced from PubChem (CID 83238001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).