3-(2-ethoxyethyl)-5-propyl-2-thiophen-3-ylimidazolidin-4-one

C14H22N2O2S — CID 83237977

IUPAC3-(2-ethoxyethyl)-5-propyl-2-thiophen-3-ylimidazolidin-4-one
SMILESCCCC1NC(c2ccsc2)N(CCOCC)C1=O
InChIInChI=1S/C14H22N2O2S/c1-3-5-12-14(17)16(7-8-18-4-2)13(15-12)11-6-9-19-10-11/h6,9-10,12-13,15H,3-5,7-8H2,1-2H3
InChIKeyMQQYGCAWNRATKC-UHFFFAOYSA-N
MW282.41 g/mol
LogP2.38
Rot. Bonds7

About 3-(2-ethoxyethyl)-5-propyl-2-thiophen-3-ylimidazolidin-4-one

3-(2-ethoxyethyl)-5-propyl-2-thiophen-3-ylimidazolidin-4-one (PubChem CID 83237977) has the molecular formula C14H22N2O2S and a molecular weight of 282.41 g/mol. Its IUPAC name is 3-(2-ethoxyethyl)-5-propyl-2-thiophen-3-ylimidazolidin-4-one.

Molecular Properties

Compound Name3-(2-ethoxyethyl)-5-propyl-2-thiophen-3-ylimidazolidin-4-one
PubChem CID83237977
Molecular FormulaC14H22N2O2S
Molecular Weight282.41 g/mol
Exact Mass282.14
IUPAC Name3-(2-ethoxyethyl)-5-propyl-2-thiophen-3-ylimidazolidin-4-one
SMILESCCCC1NC(c2ccsc2)N(CCOCC)C1=O
InChIInChI=1S/C14H22N2O2S/c1-3-5-12-14(17)16(7-8-18-4-2)13(15-12)11-6-9-19-10-11/h6,9-10,12-13,15H,3-5,7-8H2,1-2H3
InChIKeyMQQYGCAWNRATKC-UHFFFAOYSA-N
XLogP2.38
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 52.38
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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Frequently Asked Questions

What is the IUPAC name of 3-(2-ethoxyethyl)-5-propyl-2-thiophen-3-ylimidazolidin-4-one?
The IUPAC name of 3-(2-ethoxyethyl)-5-propyl-2-thiophen-3-ylimidazolidin-4-one (CID 83237977) is 3-(2-ethoxyethyl)-5-propyl-2-thiophen-3-ylimidazolidin-4-one.
What is the SMILES notation for 3-(2-ethoxyethyl)-5-propyl-2-thiophen-3-ylimidazolidin-4-one?
The canonical SMILES for 3-(2-ethoxyethyl)-5-propyl-2-thiophen-3-ylimidazolidin-4-one is CCCC1NC(c2ccsc2)N(CCOCC)C1=O.
What is the InChIKey of 3-(2-ethoxyethyl)-5-propyl-2-thiophen-3-ylimidazolidin-4-one?
The InChIKey is MQQYGCAWNRATKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2S/c1-3-5-12-14(17)16(7-8-18-4-2)13(15-12)11-6-9-19-10-11/h6,9-10,12-13,15H,3-5,7-8H2,1-2H3.
What are the key properties of 3-(2-ethoxyethyl)-5-propyl-2-thiophen-3-ylimidazolidin-4-one?
3-(2-ethoxyethyl)-5-propyl-2-thiophen-3-ylimidazolidin-4-one has a molecular weight of 282.41 g/mol, XLogP of 2.38, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethoxyethyl)-5-propyl-2-thiophen-3-ylimidazolidin-4-one is sourced from PubChem (CID 83237977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).