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

C11H14N2OS — CID 83251666

IUPAC3-(cyclopropylmethyl)-2-thiophen-2-ylimidazolidin-4-one
SMILESO=C1CNC(c2cccs2)N1CC1CC1
InChIInChI=1S/C11H14N2OS/c14-10-6-12-11(9-2-1-5-15-9)13(10)7-8-3-4-8/h1-2,5,8,11-12H,3-4,6-7H2
InChIKeyIEAZAGYLFDWADQ-UHFFFAOYSA-N
MW222.31 g/mol
LogP1.59
Rot. Bonds3

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

3-(cyclopropylmethyl)-2-thiophen-2-ylimidazolidin-4-one (PubChem CID 83251666) has the molecular formula C11H14N2OS and a molecular weight of 222.31 g/mol. Its IUPAC name is 3-(cyclopropylmethyl)-2-thiophen-2-ylimidazolidin-4-one.

Molecular Properties

Compound Name3-(cyclopropylmethyl)-2-thiophen-2-ylimidazolidin-4-one
PubChem CID83251666
Molecular FormulaC11H14N2OS
Molecular Weight222.31 g/mol
Exact Mass222.08
IUPAC Name3-(cyclopropylmethyl)-2-thiophen-2-ylimidazolidin-4-one
SMILESO=C1CNC(c2cccs2)N1CC1CC1
InChIInChI=1S/C11H14N2OS/c14-10-6-12-11(9-2-1-5-15-9)13(10)7-8-3-4-8/h1-2,5,8,11-12H,3-4,6-7H2
InChIKeyIEAZAGYLFDWADQ-UHFFFAOYSA-N
XLogP1.59
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.31
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylmethyl)-2-thiophen-2-ylimidazolidin-4-one?
The IUPAC name of 3-(cyclopropylmethyl)-2-thiophen-2-ylimidazolidin-4-one (CID 83251666) is 3-(cyclopropylmethyl)-2-thiophen-2-ylimidazolidin-4-one.
What is the SMILES notation for 3-(cyclopropylmethyl)-2-thiophen-2-ylimidazolidin-4-one?
The canonical SMILES for 3-(cyclopropylmethyl)-2-thiophen-2-ylimidazolidin-4-one is O=C1CNC(c2cccs2)N1CC1CC1.
What is the InChIKey of 3-(cyclopropylmethyl)-2-thiophen-2-ylimidazolidin-4-one?
The InChIKey is IEAZAGYLFDWADQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2OS/c14-10-6-12-11(9-2-1-5-15-9)13(10)7-8-3-4-8/h1-2,5,8,11-12H,3-4,6-7H2.
What are the key properties of 3-(cyclopropylmethyl)-2-thiophen-2-ylimidazolidin-4-one?
3-(cyclopropylmethyl)-2-thiophen-2-ylimidazolidin-4-one has a molecular weight of 222.31 g/mol, XLogP of 1.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylmethyl)-2-thiophen-2-ylimidazolidin-4-one is sourced from PubChem (CID 83251666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).