3-(1-methoxybutan-2-yl)-2-thiophen-3-ylimidazolidin-4-one

C12H18N2O2S — CID 83258634

IUPAC3-(1-methoxybutan-2-yl)-2-thiophen-3-ylimidazolidin-4-one
SMILESCCC(COC)N1C(=O)CNC1c1ccsc1
InChIInChI=1S/C12H18N2O2S/c1-3-10(7-16-2)14-11(15)6-13-12(14)9-4-5-17-8-9/h4-5,8,10,12-13H,3,6-7H2,1-2H3
InChIKeyXOYISAFIZIVRQM-UHFFFAOYSA-N
MW254.35 g/mol
LogP1.60
Rot. Bonds5

About 3-(1-methoxybutan-2-yl)-2-thiophen-3-ylimidazolidin-4-one

3-(1-methoxybutan-2-yl)-2-thiophen-3-ylimidazolidin-4-one (PubChem CID 83258634) has the molecular formula C12H18N2O2S and a molecular weight of 254.35 g/mol. Its IUPAC name is 3-(1-methoxybutan-2-yl)-2-thiophen-3-ylimidazolidin-4-one.

Molecular Properties

Compound Name3-(1-methoxybutan-2-yl)-2-thiophen-3-ylimidazolidin-4-one
PubChem CID83258634
Molecular FormulaC12H18N2O2S
Molecular Weight254.35 g/mol
Exact Mass254.11
IUPAC Name3-(1-methoxybutan-2-yl)-2-thiophen-3-ylimidazolidin-4-one
SMILESCCC(COC)N1C(=O)CNC1c1ccsc1
InChIInChI=1S/C12H18N2O2S/c1-3-10(7-16-2)14-11(15)6-13-12(14)9-4-5-17-8-9/h4-5,8,10,12-13H,3,6-7H2,1-2H3
InChIKeyXOYISAFIZIVRQM-UHFFFAOYSA-N
XLogP1.60
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.35
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(1-methoxybutan-2-yl)-2-thiophen-3-ylimidazolidin-4-one?
The IUPAC name of 3-(1-methoxybutan-2-yl)-2-thiophen-3-ylimidazolidin-4-one (CID 83258634) is 3-(1-methoxybutan-2-yl)-2-thiophen-3-ylimidazolidin-4-one.
What is the SMILES notation for 3-(1-methoxybutan-2-yl)-2-thiophen-3-ylimidazolidin-4-one?
The canonical SMILES for 3-(1-methoxybutan-2-yl)-2-thiophen-3-ylimidazolidin-4-one is CCC(COC)N1C(=O)CNC1c1ccsc1.
What is the InChIKey of 3-(1-methoxybutan-2-yl)-2-thiophen-3-ylimidazolidin-4-one?
The InChIKey is XOYISAFIZIVRQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2S/c1-3-10(7-16-2)14-11(15)6-13-12(14)9-4-5-17-8-9/h4-5,8,10,12-13H,3,6-7H2,1-2H3.
What are the key properties of 3-(1-methoxybutan-2-yl)-2-thiophen-3-ylimidazolidin-4-one?
3-(1-methoxybutan-2-yl)-2-thiophen-3-ylimidazolidin-4-one has a molecular weight of 254.35 g/mol, XLogP of 1.60, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methoxybutan-2-yl)-2-thiophen-3-ylimidazolidin-4-one is sourced from PubChem (CID 83258634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).