5-butyl-3-(4-methoxybutyl)-2-thiophen-3-ylimidazolidin-4-one

C16H26N2O2S — CID 83248664

IUPAC5-butyl-3-(4-methoxybutyl)-2-thiophen-3-ylimidazolidin-4-one
SMILESCCCCC1NC(c2ccsc2)N(CCCCOC)C1=O
InChIInChI=1S/C16H26N2O2S/c1-3-4-7-14-16(19)18(9-5-6-10-20-2)15(17-14)13-8-11-21-12-13/h8,11-12,14-15,17H,3-7,9-10H2,1-2H3
InChIKeyTWQOZGWWYVTKCL-UHFFFAOYSA-N
MW310.46 g/mol
LogP3.16
Rot. Bonds9

About 5-butyl-3-(4-methoxybutyl)-2-thiophen-3-ylimidazolidin-4-one

5-butyl-3-(4-methoxybutyl)-2-thiophen-3-ylimidazolidin-4-one (PubChem CID 83248664) has the molecular formula C16H26N2O2S and a molecular weight of 310.46 g/mol. Its IUPAC name is 5-butyl-3-(4-methoxybutyl)-2-thiophen-3-ylimidazolidin-4-one.

Molecular Properties

Compound Name5-butyl-3-(4-methoxybutyl)-2-thiophen-3-ylimidazolidin-4-one
PubChem CID83248664
Molecular FormulaC16H26N2O2S
Molecular Weight310.46 g/mol
Exact Mass310.17
IUPAC Name5-butyl-3-(4-methoxybutyl)-2-thiophen-3-ylimidazolidin-4-one
SMILESCCCCC1NC(c2ccsc2)N(CCCCOC)C1=O
InChIInChI=1S/C16H26N2O2S/c1-3-4-7-14-16(19)18(9-5-6-10-20-2)15(17-14)13-8-11-21-12-13/h8,11-12,14-15,17H,3-7,9-10H2,1-2H3
InChIKeyTWQOZGWWYVTKCL-UHFFFAOYSA-N
XLogP3.16
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.46
LogP ≤ 53.16
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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Related Compounds

3,5-dipropyl-2-thiophen-3-ylimidazolidin-4-one
CID 83242253
3-(2-ethoxyethyl)-5-propyl-2-thiophen-3-ylimidazolidin-4-one
CID 83237977
3-[4-(dimethylamino)butyl]-5-propyl-2-thiophen-3-ylimidazolidin-4-one
CID 83245135
5-butyl-3-(2,2-dimethylbutyl)-2-thiophen-3-ylimidazolidin-4-one
CID 103466816
5-butyl-3-[2-(dimethylamino)propyl]-2-thiophen-3-ylimidazolidin-4-one
CID 83252274
5-ethyl-3-propyl-2-thiophen-3-ylimidazolidin-4-one
CID 83242612
3-[2-(diethylamino)ethyl]-5-propyl-2-thiophen-3-ylimidazolidin-4-one
CID 83238183
5-butyl-3-pentan-3-yl-2-thiophen-3-ylimidazolidin-4-one
CID 83243016
3-[2-[ethyl(methyl)amino]ethyl]-5-propyl-2-thiophen-3-ylimidazolidin-4-one
CID 83254460
3,5-dibutyl-2-phenylimidazolidin-4-one
CID 83237789
5-butyl-3-hexan-3-yl-2-thiophen-3-ylimidazolidin-4-one
CID 83251878
5-butyl-3-cyclopentyl-2-thiophen-3-ylimidazolidin-4-one
CID 83242915

Frequently Asked Questions

What is the IUPAC name of 5-butyl-3-(4-methoxybutyl)-2-thiophen-3-ylimidazolidin-4-one?
The IUPAC name of 5-butyl-3-(4-methoxybutyl)-2-thiophen-3-ylimidazolidin-4-one (CID 83248664) is 5-butyl-3-(4-methoxybutyl)-2-thiophen-3-ylimidazolidin-4-one.
What is the SMILES notation for 5-butyl-3-(4-methoxybutyl)-2-thiophen-3-ylimidazolidin-4-one?
The canonical SMILES for 5-butyl-3-(4-methoxybutyl)-2-thiophen-3-ylimidazolidin-4-one is CCCCC1NC(c2ccsc2)N(CCCCOC)C1=O.
What is the InChIKey of 5-butyl-3-(4-methoxybutyl)-2-thiophen-3-ylimidazolidin-4-one?
The InChIKey is TWQOZGWWYVTKCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2S/c1-3-4-7-14-16(19)18(9-5-6-10-20-2)15(17-14)13-8-11-21-12-13/h8,11-12,14-15,17H,3-7,9-10H2,1-2H3.
What are the key properties of 5-butyl-3-(4-methoxybutyl)-2-thiophen-3-ylimidazolidin-4-one?
5-butyl-3-(4-methoxybutyl)-2-thiophen-3-ylimidazolidin-4-one has a molecular weight of 310.46 g/mol, XLogP of 3.16, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-3-(4-methoxybutyl)-2-thiophen-3-ylimidazolidin-4-one is sourced from PubChem (CID 83248664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).