2-(5-methylthiophen-2-yl)-3-octylimidazolidin-4-one

C16H26N2OS — CID 83260835

IUPAC2-(5-methylthiophen-2-yl)-3-octylimidazolidin-4-one
SMILESCCCCCCCCN1C(=O)CNC1c1ccc(C)s1
InChIInChI=1S/C16H26N2OS/c1-3-4-5-6-7-8-11-18-15(19)12-17-16(18)14-10-9-13(2)20-14/h9-10,16-17H,3-8,11-12H2,1-2H3
InChIKeyCFPPBHPEJZBXLM-UHFFFAOYSA-N
MW294.46 g/mol
LogP3.85
Rot. Bonds8

About 2-(5-methylthiophen-2-yl)-3-octylimidazolidin-4-one

2-(5-methylthiophen-2-yl)-3-octylimidazolidin-4-one (PubChem CID 83260835) has the molecular formula C16H26N2OS and a molecular weight of 294.46 g/mol. Its IUPAC name is 2-(5-methylthiophen-2-yl)-3-octylimidazolidin-4-one.

Molecular Properties

Compound Name2-(5-methylthiophen-2-yl)-3-octylimidazolidin-4-one
PubChem CID83260835
Molecular FormulaC16H26N2OS
Molecular Weight294.46 g/mol
Exact Mass294.18
IUPAC Name2-(5-methylthiophen-2-yl)-3-octylimidazolidin-4-one
SMILESCCCCCCCCN1C(=O)CNC1c1ccc(C)s1
InChIInChI=1S/C16H26N2OS/c1-3-4-5-6-7-8-11-18-15(19)12-17-16(18)14-10-9-13(2)20-14/h9-10,16-17H,3-8,11-12H2,1-2H3
InChIKeyCFPPBHPEJZBXLM-UHFFFAOYSA-N
XLogP3.85
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 ≤ 53.85
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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Related Compounds

3-(3-methylsulfonylpropyl)-2-(5-methylthiophen-2-yl)imidazolidin-4-one
CID 83246858
3-[4-[methyl(propan-2-yl)amino]butyl]-2-(5-methylthiophen-2-yl)imidazolidin-4-one
CID 83247467
3-[2-(4-methylcyclohexyl)ethyl]-2-(5-methylthiophen-2-yl)imidazolidin-4-one
CID 83262823
3-[3-[methyl(propan-2-yl)amino]propyl]-2-(5-methylthiophen-2-yl)imidazolidin-4-one
CID 106053056
3-(2-cyclopentyloxyethyl)-2-(5-methylthiophen-2-yl)imidazolidin-4-one
CID 83257504
3-[(1-methylcyclopentyl)methyl]-2-(5-methylthiophen-2-yl)imidazolidin-4-one
CID 83258094
3-(cyclohexylmethyl)-2-(5-methylthiophen-2-yl)imidazolidin-4-one
CID 83244089
3-[(1-methylpiperidin-2-yl)methyl]-2-(5-methylthiophen-2-yl)imidazolidin-4-one
CID 83245106
2-(5-methylthiophen-2-yl)-3-(thiolan-3-ylmethyl)imidazolidin-4-one
CID 107299016
3-[(1-ethylpyrrolidin-3-yl)methyl]-2-(5-methylthiophen-2-yl)imidazolidin-4-one
CID 83255799
5-butan-2-yl-2-(5-methylthiophen-2-yl)-3-pentylimidazolidin-4-one
CID 83245967
5-(2-methylpropyl)-2-(5-methylthiophen-2-yl)-3-pentylimidazolidin-4-one
CID 83246232

Frequently Asked Questions

What is the IUPAC name of 2-(5-methylthiophen-2-yl)-3-octylimidazolidin-4-one?
The IUPAC name of 2-(5-methylthiophen-2-yl)-3-octylimidazolidin-4-one (CID 83260835) is 2-(5-methylthiophen-2-yl)-3-octylimidazolidin-4-one.
What is the SMILES notation for 2-(5-methylthiophen-2-yl)-3-octylimidazolidin-4-one?
The canonical SMILES for 2-(5-methylthiophen-2-yl)-3-octylimidazolidin-4-one is CCCCCCCCN1C(=O)CNC1c1ccc(C)s1.
What is the InChIKey of 2-(5-methylthiophen-2-yl)-3-octylimidazolidin-4-one?
The InChIKey is CFPPBHPEJZBXLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2OS/c1-3-4-5-6-7-8-11-18-15(19)12-17-16(18)14-10-9-13(2)20-14/h9-10,16-17H,3-8,11-12H2,1-2H3.
What are the key properties of 2-(5-methylthiophen-2-yl)-3-octylimidazolidin-4-one?
2-(5-methylthiophen-2-yl)-3-octylimidazolidin-4-one has a molecular weight of 294.46 g/mol, XLogP of 3.85, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methylthiophen-2-yl)-3-octylimidazolidin-4-one is sourced from PubChem (CID 83260835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).