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

C16H26N2OS — CID 83237065

IUPAC5-butyl-3-(3-methylbutyl)-2-thiophen-2-ylimidazolidin-4-one
SMILESCCCCC1NC(c2cccs2)N(CCC(C)C)C1=O
InChIInChI=1S/C16H26N2OS/c1-4-5-7-13-16(19)18(10-9-12(2)3)15(17-13)14-8-6-11-20-14/h6,8,11-13,15,17H,4-5,7,9-10H2,1-3H3
InChIKeyYMNHVVWEHVSFCK-UHFFFAOYSA-N
MW294.46 g/mol
LogP3.78
Rot. Bonds7

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

5-butyl-3-(3-methylbutyl)-2-thiophen-2-ylimidazolidin-4-one (PubChem CID 83237065) has the molecular formula C16H26N2OS and a molecular weight of 294.46 g/mol. Its IUPAC name is 5-butyl-3-(3-methylbutyl)-2-thiophen-2-ylimidazolidin-4-one.

Molecular Properties

Compound Name5-butyl-3-(3-methylbutyl)-2-thiophen-2-ylimidazolidin-4-one
PubChem CID83237065
Molecular FormulaC16H26N2OS
Molecular Weight294.46 g/mol
Exact Mass294.18
IUPAC Name5-butyl-3-(3-methylbutyl)-2-thiophen-2-ylimidazolidin-4-one
SMILESCCCCC1NC(c2cccs2)N(CCC(C)C)C1=O
InChIInChI=1S/C16H26N2OS/c1-4-5-7-13-16(19)18(10-9-12(2)3)15(17-13)14-8-6-11-20-14/h6,8,11-13,15,17H,4-5,7,9-10H2,1-3H3
InChIKeyYMNHVVWEHVSFCK-UHFFFAOYSA-N
XLogP3.78
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.46
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-butyl-3-(3-methylbutyl)-2-thiophen-2-ylimidazolidin-4-one?
The IUPAC name of 5-butyl-3-(3-methylbutyl)-2-thiophen-2-ylimidazolidin-4-one (CID 83237065) is 5-butyl-3-(3-methylbutyl)-2-thiophen-2-ylimidazolidin-4-one.
What is the SMILES notation for 5-butyl-3-(3-methylbutyl)-2-thiophen-2-ylimidazolidin-4-one?
The canonical SMILES for 5-butyl-3-(3-methylbutyl)-2-thiophen-2-ylimidazolidin-4-one is CCCCC1NC(c2cccs2)N(CCC(C)C)C1=O.
What is the InChIKey of 5-butyl-3-(3-methylbutyl)-2-thiophen-2-ylimidazolidin-4-one?
The InChIKey is YMNHVVWEHVSFCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2OS/c1-4-5-7-13-16(19)18(10-9-12(2)3)15(17-13)14-8-6-11-20-14/h6,8,11-13,15,17H,4-5,7,9-10H2,1-3H3.
What are the key properties of 5-butyl-3-(3-methylbutyl)-2-thiophen-2-ylimidazolidin-4-one?
5-butyl-3-(3-methylbutyl)-2-thiophen-2-ylimidazolidin-4-one has a molecular weight of 294.46 g/mol, XLogP of 3.78, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-3-(3-methylbutyl)-2-thiophen-2-ylimidazolidin-4-one is sourced from PubChem (CID 83237065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).