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

C11H16N2O2S — CID 102702005

IUPAC3-(2-methoxypropyl)-2-thiophen-3-ylimidazolidin-4-one
SMILESCOC(C)CN1C(=O)CNC1c1ccsc1
InChIInChI=1S/C11H16N2O2S/c1-8(15-2)6-13-10(14)5-12-11(13)9-3-4-16-7-9/h3-4,7-8,11-12H,5-6H2,1-2H3
InChIKeyJCMHFYSMOZHRRT-UHFFFAOYSA-N
MW240.33 g/mol
LogP1.21
Rot. Bonds4

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

3-(2-methoxypropyl)-2-thiophen-3-ylimidazolidin-4-one (PubChem CID 102702005) has the molecular formula C11H16N2O2S and a molecular weight of 240.33 g/mol. Its IUPAC name is 3-(2-methoxypropyl)-2-thiophen-3-ylimidazolidin-4-one.

Molecular Properties

Compound Name3-(2-methoxypropyl)-2-thiophen-3-ylimidazolidin-4-one
PubChem CID102702005
Molecular FormulaC11H16N2O2S
Molecular Weight240.33 g/mol
Exact Mass240.09
IUPAC Name3-(2-methoxypropyl)-2-thiophen-3-ylimidazolidin-4-one
SMILESCOC(C)CN1C(=O)CNC1c1ccsc1
InChIInChI=1S/C11H16N2O2S/c1-8(15-2)6-13-10(14)5-12-11(13)9-3-4-16-7-9/h3-4,7-8,11-12H,5-6H2,1-2H3
InChIKeyJCMHFYSMOZHRRT-UHFFFAOYSA-N
XLogP1.21
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-methyl-3-pyrrolidin-1-ylpropyl)-2-thiophen-3-ylimidazolidin-4-one
CID 83255014
3-(3-ethoxypropyl)-2-thiophen-3-ylimidazolidin-4-one
CID 83238001
3-[(4-ethylcyclohexyl)methyl]-2-thiophen-3-ylimidazolidin-4-one
CID 83254067
3-(3-methylsulfonylpropyl)-2-thiophen-3-ylimidazolidin-4-one
CID 83247903
3-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-2-thiophen-3-ylimidazolidin-4-one
CID 83256663
2-thiophen-3-yl-3-(3,3,3-trifluoropropyl)imidazolidin-4-one
CID 83254696
3-[(1-methylpiperidin-4-yl)methyl]-2-thiophen-3-ylimidazolidin-4-one
CID 83249330
3-(1-methoxybutan-2-yl)-2-thiophen-3-ylimidazolidin-4-one
CID 83258634
3-[(1-methylpyrrolidin-3-yl)methyl]-2-thiophen-3-ylimidazolidin-4-one
CID 83255795
3-(2-methoxypropyl)-2-propan-2-ylimidazolidin-4-one
CID 102702006
3-[4-(dimethylamino)butan-2-yl]-2-thiophen-3-ylimidazolidin-4-one
CID 83249965
3-[2-(3-methylcyclohexyl)ethyl]-2-thiophen-3-ylimidazolidin-4-one
CID 83264612

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxypropyl)-2-thiophen-3-ylimidazolidin-4-one?
The IUPAC name of 3-(2-methoxypropyl)-2-thiophen-3-ylimidazolidin-4-one (CID 102702005) is 3-(2-methoxypropyl)-2-thiophen-3-ylimidazolidin-4-one.
What is the SMILES notation for 3-(2-methoxypropyl)-2-thiophen-3-ylimidazolidin-4-one?
The canonical SMILES for 3-(2-methoxypropyl)-2-thiophen-3-ylimidazolidin-4-one is COC(C)CN1C(=O)CNC1c1ccsc1.
What is the InChIKey of 3-(2-methoxypropyl)-2-thiophen-3-ylimidazolidin-4-one?
The InChIKey is JCMHFYSMOZHRRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2S/c1-8(15-2)6-13-10(14)5-12-11(13)9-3-4-16-7-9/h3-4,7-8,11-12H,5-6H2,1-2H3.
What are the key properties of 3-(2-methoxypropyl)-2-thiophen-3-ylimidazolidin-4-one?
3-(2-methoxypropyl)-2-thiophen-3-ylimidazolidin-4-one has a molecular weight of 240.33 g/mol, XLogP of 1.21, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxypropyl)-2-thiophen-3-ylimidazolidin-4-one is sourced from PubChem (CID 102702005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).