5-propan-2-yl-3-propyl-2-thiophen-3-ylimidazolidin-4-one

C13H20N2OS — CID 83242352

IUPAC5-propan-2-yl-3-propyl-2-thiophen-3-ylimidazolidin-4-one
SMILESCCCN1C(=O)C(C(C)C)NC1c1ccsc1
InChIInChI=1S/C13H20N2OS/c1-4-6-15-12(10-5-7-17-8-10)14-11(9(2)3)13(15)16/h5,7-9,11-12,14H,4,6H2,1-3H3
InChIKeyGXYWNJKYEFLCTR-UHFFFAOYSA-N
MW252.38 g/mol
LogP2.61
Rot. Bonds4

About 5-propan-2-yl-3-propyl-2-thiophen-3-ylimidazolidin-4-one

5-propan-2-yl-3-propyl-2-thiophen-3-ylimidazolidin-4-one (PubChem CID 83242352) has the molecular formula C13H20N2OS and a molecular weight of 252.38 g/mol. Its IUPAC name is 5-propan-2-yl-3-propyl-2-thiophen-3-ylimidazolidin-4-one.

Molecular Properties

Compound Name5-propan-2-yl-3-propyl-2-thiophen-3-ylimidazolidin-4-one
PubChem CID83242352
Molecular FormulaC13H20N2OS
Molecular Weight252.38 g/mol
Exact Mass252.13
IUPAC Name5-propan-2-yl-3-propyl-2-thiophen-3-ylimidazolidin-4-one
SMILESCCCN1C(=O)C(C(C)C)NC1c1ccsc1
InChIInChI=1S/C13H20N2OS/c1-4-6-15-12(10-5-7-17-8-10)14-11(9(2)3)13(15)16/h5,7-9,11-12,14H,4,6H2,1-3H3
InChIKeyGXYWNJKYEFLCTR-UHFFFAOYSA-N
XLogP2.61
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.38
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-propan-2-yl-3-propyl-2-thiophen-3-ylimidazolidin-4-one?
The IUPAC name of 5-propan-2-yl-3-propyl-2-thiophen-3-ylimidazolidin-4-one (CID 83242352) is 5-propan-2-yl-3-propyl-2-thiophen-3-ylimidazolidin-4-one.
What is the SMILES notation for 5-propan-2-yl-3-propyl-2-thiophen-3-ylimidazolidin-4-one?
The canonical SMILES for 5-propan-2-yl-3-propyl-2-thiophen-3-ylimidazolidin-4-one is CCCN1C(=O)C(C(C)C)NC1c1ccsc1.
What is the InChIKey of 5-propan-2-yl-3-propyl-2-thiophen-3-ylimidazolidin-4-one?
The InChIKey is GXYWNJKYEFLCTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2OS/c1-4-6-15-12(10-5-7-17-8-10)14-11(9(2)3)13(15)16/h5,7-9,11-12,14H,4,6H2,1-3H3.
What are the key properties of 5-propan-2-yl-3-propyl-2-thiophen-3-ylimidazolidin-4-one?
5-propan-2-yl-3-propyl-2-thiophen-3-ylimidazolidin-4-one has a molecular weight of 252.38 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propan-2-yl-3-propyl-2-thiophen-3-ylimidazolidin-4-one is sourced from PubChem (CID 83242352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).