3-(5-methylhexyl)-2-thiophen-2-ylimidazolidin-4-one

C14H22N2OS — CID 83260430

IUPAC3-(5-methylhexyl)-2-thiophen-2-ylimidazolidin-4-one
SMILESCC(C)CCCCN1C(=O)CNC1c1cccs1
InChIInChI=1S/C14H22N2OS/c1-11(2)6-3-4-8-16-13(17)10-15-14(16)12-7-5-9-18-12/h5,7,9,11,14-15H,3-4,6,8,10H2,1-2H3
InChIKeyLLWBJZNHRNAGKU-UHFFFAOYSA-N
MW266.41 g/mol
LogP3.00
Rot. Bonds6

About 3-(5-methylhexyl)-2-thiophen-2-ylimidazolidin-4-one

3-(5-methylhexyl)-2-thiophen-2-ylimidazolidin-4-one (PubChem CID 83260430) has the molecular formula C14H22N2OS and a molecular weight of 266.41 g/mol. Its IUPAC name is 3-(5-methylhexyl)-2-thiophen-2-ylimidazolidin-4-one.

Molecular Properties

Compound Name3-(5-methylhexyl)-2-thiophen-2-ylimidazolidin-4-one
PubChem CID83260430
Molecular FormulaC14H22N2OS
Molecular Weight266.41 g/mol
Exact Mass266.15
IUPAC Name3-(5-methylhexyl)-2-thiophen-2-ylimidazolidin-4-one
SMILESCC(C)CCCCN1C(=O)CNC1c1cccs1
InChIInChI=1S/C14H22N2OS/c1-11(2)6-3-4-8-16-13(17)10-15-14(16)12-7-5-9-18-12/h5,7,9,11,14-15H,3-4,6,8,10H2,1-2H3
InChIKeyLLWBJZNHRNAGKU-UHFFFAOYSA-N
XLogP3.00
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.41
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-(5-methylhexyl)-2-thiophen-2-ylimidazolidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(5-methylhexyl)-2-thiophen-2-ylimidazolidin-4-one?
The IUPAC name of 3-(5-methylhexyl)-2-thiophen-2-ylimidazolidin-4-one (CID 83260430) is 3-(5-methylhexyl)-2-thiophen-2-ylimidazolidin-4-one.
What is the SMILES notation for 3-(5-methylhexyl)-2-thiophen-2-ylimidazolidin-4-one?
The canonical SMILES for 3-(5-methylhexyl)-2-thiophen-2-ylimidazolidin-4-one is CC(C)CCCCN1C(=O)CNC1c1cccs1.
What is the InChIKey of 3-(5-methylhexyl)-2-thiophen-2-ylimidazolidin-4-one?
The InChIKey is LLWBJZNHRNAGKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2OS/c1-11(2)6-3-4-8-16-13(17)10-15-14(16)12-7-5-9-18-12/h5,7,9,11,14-15H,3-4,6,8,10H2,1-2H3.
What are the key properties of 3-(5-methylhexyl)-2-thiophen-2-ylimidazolidin-4-one?
3-(5-methylhexyl)-2-thiophen-2-ylimidazolidin-4-one has a molecular weight of 266.41 g/mol, XLogP of 3.00, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methylhexyl)-2-thiophen-2-ylimidazolidin-4-one is sourced from PubChem (CID 83260430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).