3-ethyl-5-propan-2-yl-2-thiophen-2-ylimidazolidin-4-one

C12H18N2OS — CID 83239257

IUPAC3-ethyl-5-propan-2-yl-2-thiophen-2-ylimidazolidin-4-one
SMILESCCN1C(=O)C(C(C)C)NC1c1cccs1
InChIInChI=1S/C12H18N2OS/c1-4-14-11(9-6-5-7-16-9)13-10(8(2)3)12(14)15/h5-8,10-11,13H,4H2,1-3H3
InChIKeyCSLFVNPTZDYFKW-UHFFFAOYSA-N
MW238.36 g/mol
LogP2.22
Rot. Bonds3

About 3-ethyl-5-propan-2-yl-2-thiophen-2-ylimidazolidin-4-one

3-ethyl-5-propan-2-yl-2-thiophen-2-ylimidazolidin-4-one (PubChem CID 83239257) has the molecular formula C12H18N2OS and a molecular weight of 238.36 g/mol. Its IUPAC name is 3-ethyl-5-propan-2-yl-2-thiophen-2-ylimidazolidin-4-one.

Molecular Properties

Compound Name3-ethyl-5-propan-2-yl-2-thiophen-2-ylimidazolidin-4-one
PubChem CID83239257
Molecular FormulaC12H18N2OS
Molecular Weight238.36 g/mol
Exact Mass238.11
IUPAC Name3-ethyl-5-propan-2-yl-2-thiophen-2-ylimidazolidin-4-one
SMILESCCN1C(=O)C(C(C)C)NC1c1cccs1
InChIInChI=1S/C12H18N2OS/c1-4-14-11(9-6-5-7-16-9)13-10(8(2)3)12(14)15/h5-8,10-11,13H,4H2,1-3H3
InChIKeyCSLFVNPTZDYFKW-UHFFFAOYSA-N
XLogP2.22
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.36
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-propan-2-yl-2-thiophen-2-ylimidazolidin-4-one?
The IUPAC name of 3-ethyl-5-propan-2-yl-2-thiophen-2-ylimidazolidin-4-one (CID 83239257) is 3-ethyl-5-propan-2-yl-2-thiophen-2-ylimidazolidin-4-one.
What is the SMILES notation for 3-ethyl-5-propan-2-yl-2-thiophen-2-ylimidazolidin-4-one?
The canonical SMILES for 3-ethyl-5-propan-2-yl-2-thiophen-2-ylimidazolidin-4-one is CCN1C(=O)C(C(C)C)NC1c1cccs1.
What is the InChIKey of 3-ethyl-5-propan-2-yl-2-thiophen-2-ylimidazolidin-4-one?
The InChIKey is CSLFVNPTZDYFKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2OS/c1-4-14-11(9-6-5-7-16-9)13-10(8(2)3)12(14)15/h5-8,10-11,13H,4H2,1-3H3.
What are the key properties of 3-ethyl-5-propan-2-yl-2-thiophen-2-ylimidazolidin-4-one?
3-ethyl-5-propan-2-yl-2-thiophen-2-ylimidazolidin-4-one has a molecular weight of 238.36 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-propan-2-yl-2-thiophen-2-ylimidazolidin-4-one is sourced from PubChem (CID 83239257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).