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

C17H26N2OS — CID 114552342

IUPAC5-butyl-3-(3-methylcyclopentyl)-2-thiophen-2-ylimidazolidin-4-one
SMILESCCCCC1NC(c2cccs2)N(C2CCC(C)C2)C1=O
InChIInChI=1S/C17H26N2OS/c1-3-4-6-14-17(20)19(13-9-8-12(2)11-13)16(18-14)15-7-5-10-21-15/h5,7,10,12-14,16,18H,3-4,6,8-9,11H2,1-2H3
InChIKeyGRRKRWYGFUVQLI-UHFFFAOYSA-N
MW306.48 g/mol
LogP3.93
Rot. Bonds5

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

5-butyl-3-(3-methylcyclopentyl)-2-thiophen-2-ylimidazolidin-4-one (PubChem CID 114552342) has the molecular formula C17H26N2OS and a molecular weight of 306.48 g/mol. Its IUPAC name is 5-butyl-3-(3-methylcyclopentyl)-2-thiophen-2-ylimidazolidin-4-one.

Molecular Properties

Compound Name5-butyl-3-(3-methylcyclopentyl)-2-thiophen-2-ylimidazolidin-4-one
PubChem CID114552342
Molecular FormulaC17H26N2OS
Molecular Weight306.48 g/mol
Exact Mass306.18
IUPAC Name5-butyl-3-(3-methylcyclopentyl)-2-thiophen-2-ylimidazolidin-4-one
SMILESCCCCC1NC(c2cccs2)N(C2CCC(C)C2)C1=O
InChIInChI=1S/C17H26N2OS/c1-3-4-6-14-17(20)19(13-9-8-12(2)11-13)16(18-14)15-7-5-10-21-15/h5,7,10,12-14,16,18H,3-4,6,8-9,11H2,1-2H3
InChIKeyGRRKRWYGFUVQLI-UHFFFAOYSA-N
XLogP3.93
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.48
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-butyl-3-(oxolan-3-yl)-2-thiophen-2-ylimidazolidin-4-one
CID 83271009
5-ethyl-3-(4-methylcyclohexyl)-2-thiophen-2-ylimidazolidin-4-one
CID 83239488
3-(1,1-dioxothiolan-3-yl)-5-propyl-2-thiophen-2-ylimidazolidin-4-one
CID 83237132
5-butyl-3-cyclopropyl-2-(5-methylthiophen-2-yl)imidazolidin-4-one
CID 83242881
5-butyl-3-pentyl-2-thiophen-2-ylimidazolidin-4-one
CID 83243552
3-(2-methyloxolan-3-yl)-5-propyl-2-thiophen-2-ylimidazolidin-4-one
CID 83260023
5-butyl-2-cyclopentyl-3-(3-methylcyclopentyl)imidazolidin-4-one
CID 114552252
5-butyl-3-(3-methylbutyl)-2-thiophen-2-ylimidazolidin-4-one
CID 83237065
5-butyl-3-cyclopropyl-2-(4-ethylphenyl)imidazolidin-4-one
CID 83244903
3-cyclopentyl-5-methyl-2-thiophen-2-ylimidazolidin-4-one
CID 83243098
5-butyl-3-cyclopentyl-2-thiophen-3-ylimidazolidin-4-one
CID 83242915
3-hexyl-5-propyl-2-thiophen-2-ylimidazolidin-4-one
CID 83262811

Frequently Asked Questions

What is the IUPAC name of 5-butyl-3-(3-methylcyclopentyl)-2-thiophen-2-ylimidazolidin-4-one?
The IUPAC name of 5-butyl-3-(3-methylcyclopentyl)-2-thiophen-2-ylimidazolidin-4-one (CID 114552342) is 5-butyl-3-(3-methylcyclopentyl)-2-thiophen-2-ylimidazolidin-4-one.
What is the SMILES notation for 5-butyl-3-(3-methylcyclopentyl)-2-thiophen-2-ylimidazolidin-4-one?
The canonical SMILES for 5-butyl-3-(3-methylcyclopentyl)-2-thiophen-2-ylimidazolidin-4-one is CCCCC1NC(c2cccs2)N(C2CCC(C)C2)C1=O.
What is the InChIKey of 5-butyl-3-(3-methylcyclopentyl)-2-thiophen-2-ylimidazolidin-4-one?
The InChIKey is GRRKRWYGFUVQLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2OS/c1-3-4-6-14-17(20)19(13-9-8-12(2)11-13)16(18-14)15-7-5-10-21-15/h5,7,10,12-14,16,18H,3-4,6,8-9,11H2,1-2H3.
What are the key properties of 5-butyl-3-(3-methylcyclopentyl)-2-thiophen-2-ylimidazolidin-4-one?
5-butyl-3-(3-methylcyclopentyl)-2-thiophen-2-ylimidazolidin-4-one has a molecular weight of 306.48 g/mol, XLogP of 3.93, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-3-(3-methylcyclopentyl)-2-thiophen-2-ylimidazolidin-4-one is sourced from PubChem (CID 114552342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).