3,5-dipropyl-2-thiophen-3-ylimidazolidin-4-one

C13H20N2OS — CID 83242253

IUPAC3,5-dipropyl-2-thiophen-3-ylimidazolidin-4-one
SMILESCCCC1NC(c2ccsc2)N(CCC)C1=O
InChIInChI=1S/C13H20N2OS/c1-3-5-11-13(16)15(7-4-2)12(14-11)10-6-8-17-9-10/h6,8-9,11-12,14H,3-5,7H2,1-2H3
InChIKeySLSLXRXQXDTUAA-UHFFFAOYSA-N
MW252.38 g/mol
LogP2.76
Rot. Bonds5

About 3,5-dipropyl-2-thiophen-3-ylimidazolidin-4-one

3,5-dipropyl-2-thiophen-3-ylimidazolidin-4-one (PubChem CID 83242253) has the molecular formula C13H20N2OS and a molecular weight of 252.38 g/mol. Its IUPAC name is 3,5-dipropyl-2-thiophen-3-ylimidazolidin-4-one.

Molecular Properties

Compound Name3,5-dipropyl-2-thiophen-3-ylimidazolidin-4-one
PubChem CID83242253
Molecular FormulaC13H20N2OS
Molecular Weight252.38 g/mol
Exact Mass252.13
IUPAC Name3,5-dipropyl-2-thiophen-3-ylimidazolidin-4-one
SMILESCCCC1NC(c2ccsc2)N(CCC)C1=O
InChIInChI=1S/C13H20N2OS/c1-3-5-11-13(16)15(7-4-2)12(14-11)10-6-8-17-9-10/h6,8-9,11-12,14H,3-5,7H2,1-2H3
InChIKeySLSLXRXQXDTUAA-UHFFFAOYSA-N
XLogP2.76
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.38
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,5-dipropyl-2-thiophen-3-ylimidazolidin-4-one?
The IUPAC name of 3,5-dipropyl-2-thiophen-3-ylimidazolidin-4-one (CID 83242253) is 3,5-dipropyl-2-thiophen-3-ylimidazolidin-4-one.
What is the SMILES notation for 3,5-dipropyl-2-thiophen-3-ylimidazolidin-4-one?
The canonical SMILES for 3,5-dipropyl-2-thiophen-3-ylimidazolidin-4-one is CCCC1NC(c2ccsc2)N(CCC)C1=O.
What is the InChIKey of 3,5-dipropyl-2-thiophen-3-ylimidazolidin-4-one?
The InChIKey is SLSLXRXQXDTUAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2OS/c1-3-5-11-13(16)15(7-4-2)12(14-11)10-6-8-17-9-10/h6,8-9,11-12,14H,3-5,7H2,1-2H3.
What are the key properties of 3,5-dipropyl-2-thiophen-3-ylimidazolidin-4-one?
3,5-dipropyl-2-thiophen-3-ylimidazolidin-4-one has a molecular weight of 252.38 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dipropyl-2-thiophen-3-ylimidazolidin-4-one is sourced from PubChem (CID 83242253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).