5-ethyl-3-(3-methylpentan-2-yl)-2-thiophen-3-ylimidazolidin-4-one

C15H24N2OS — CID 83248366

IUPAC5-ethyl-3-(3-methylpentan-2-yl)-2-thiophen-3-ylimidazolidin-4-one
SMILESCCC1NC(c2ccsc2)N(C(C)C(C)CC)C1=O
InChIInChI=1S/C15H24N2OS/c1-5-10(3)11(4)17-14(12-7-8-19-9-12)16-13(6-2)15(17)18/h7-11,13-14,16H,5-6H2,1-4H3
InChIKeyHPDMCMDPHVYXRO-UHFFFAOYSA-N
MW280.44 g/mol
LogP3.39
Rot. Bonds5

About 5-ethyl-3-(3-methylpentan-2-yl)-2-thiophen-3-ylimidazolidin-4-one

5-ethyl-3-(3-methylpentan-2-yl)-2-thiophen-3-ylimidazolidin-4-one (PubChem CID 83248366) has the molecular formula C15H24N2OS and a molecular weight of 280.44 g/mol. Its IUPAC name is 5-ethyl-3-(3-methylpentan-2-yl)-2-thiophen-3-ylimidazolidin-4-one.

Molecular Properties

Compound Name5-ethyl-3-(3-methylpentan-2-yl)-2-thiophen-3-ylimidazolidin-4-one
PubChem CID83248366
Molecular FormulaC15H24N2OS
Molecular Weight280.44 g/mol
Exact Mass280.16
IUPAC Name5-ethyl-3-(3-methylpentan-2-yl)-2-thiophen-3-ylimidazolidin-4-one
SMILESCCC1NC(c2ccsc2)N(C(C)C(C)CC)C1=O
InChIInChI=1S/C15H24N2OS/c1-5-10(3)11(4)17-14(12-7-8-19-9-12)16-13(6-2)15(17)18/h7-11,13-14,16H,5-6H2,1-4H3
InChIKeyHPDMCMDPHVYXRO-UHFFFAOYSA-N
XLogP3.39
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.44
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-3-(3-methylpentan-2-yl)-2-thiophen-3-ylimidazolidin-4-one?
The IUPAC name of 5-ethyl-3-(3-methylpentan-2-yl)-2-thiophen-3-ylimidazolidin-4-one (CID 83248366) is 5-ethyl-3-(3-methylpentan-2-yl)-2-thiophen-3-ylimidazolidin-4-one.
What is the SMILES notation for 5-ethyl-3-(3-methylpentan-2-yl)-2-thiophen-3-ylimidazolidin-4-one?
The canonical SMILES for 5-ethyl-3-(3-methylpentan-2-yl)-2-thiophen-3-ylimidazolidin-4-one is CCC1NC(c2ccsc2)N(C(C)C(C)CC)C1=O.
What is the InChIKey of 5-ethyl-3-(3-methylpentan-2-yl)-2-thiophen-3-ylimidazolidin-4-one?
The InChIKey is HPDMCMDPHVYXRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2OS/c1-5-10(3)11(4)17-14(12-7-8-19-9-12)16-13(6-2)15(17)18/h7-11,13-14,16H,5-6H2,1-4H3.
What are the key properties of 5-ethyl-3-(3-methylpentan-2-yl)-2-thiophen-3-ylimidazolidin-4-one?
5-ethyl-3-(3-methylpentan-2-yl)-2-thiophen-3-ylimidazolidin-4-one has a molecular weight of 280.44 g/mol, XLogP of 3.39, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-3-(3-methylpentan-2-yl)-2-thiophen-3-ylimidazolidin-4-one is sourced from PubChem (CID 83248366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).