3-hexyl-5-propyl-2-thiophen-2-ylimidazolidin-4-one

C16H26N2OS — CID 83262811

IUPAC3-hexyl-5-propyl-2-thiophen-2-ylimidazolidin-4-one
SMILESCCCCCCN1C(=O)C(CCC)NC1c1cccs1
InChIInChI=1S/C16H26N2OS/c1-3-5-6-7-11-18-15(14-10-8-12-20-14)17-13(9-4-2)16(18)19/h8,10,12-13,15,17H,3-7,9,11H2,1-2H3
InChIKeyCLADSPQYJHHPER-UHFFFAOYSA-N
MW294.46 g/mol
LogP3.93
Rot. Bonds8

About 3-hexyl-5-propyl-2-thiophen-2-ylimidazolidin-4-one

3-hexyl-5-propyl-2-thiophen-2-ylimidazolidin-4-one (PubChem CID 83262811) has the molecular formula C16H26N2OS and a molecular weight of 294.46 g/mol. Its IUPAC name is 3-hexyl-5-propyl-2-thiophen-2-ylimidazolidin-4-one.

Molecular Properties

Compound Name3-hexyl-5-propyl-2-thiophen-2-ylimidazolidin-4-one
PubChem CID83262811
Molecular FormulaC16H26N2OS
Molecular Weight294.46 g/mol
Exact Mass294.18
IUPAC Name3-hexyl-5-propyl-2-thiophen-2-ylimidazolidin-4-one
SMILESCCCCCCN1C(=O)C(CCC)NC1c1cccs1
InChIInChI=1S/C16H26N2OS/c1-3-5-6-7-11-18-15(14-10-8-12-20-14)17-13(9-4-2)16(18)19/h8,10,12-13,15,17H,3-7,9,11H2,1-2H3
InChIKeyCLADSPQYJHHPER-UHFFFAOYSA-N
XLogP3.93
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.46
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-hexyl-5-propyl-2-thiophen-2-ylimidazolidin-4-one?
The IUPAC name of 3-hexyl-5-propyl-2-thiophen-2-ylimidazolidin-4-one (CID 83262811) is 3-hexyl-5-propyl-2-thiophen-2-ylimidazolidin-4-one.
What is the SMILES notation for 3-hexyl-5-propyl-2-thiophen-2-ylimidazolidin-4-one?
The canonical SMILES for 3-hexyl-5-propyl-2-thiophen-2-ylimidazolidin-4-one is CCCCCCN1C(=O)C(CCC)NC1c1cccs1.
What is the InChIKey of 3-hexyl-5-propyl-2-thiophen-2-ylimidazolidin-4-one?
The InChIKey is CLADSPQYJHHPER-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2OS/c1-3-5-6-7-11-18-15(14-10-8-12-20-14)17-13(9-4-2)16(18)19/h8,10,12-13,15,17H,3-7,9,11H2,1-2H3.
What are the key properties of 3-hexyl-5-propyl-2-thiophen-2-ylimidazolidin-4-one?
3-hexyl-5-propyl-2-thiophen-2-ylimidazolidin-4-one has a molecular weight of 294.46 g/mol, XLogP of 3.93, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hexyl-5-propyl-2-thiophen-2-ylimidazolidin-4-one is sourced from PubChem (CID 83262811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).