3-(2-methyloxolan-3-yl)-5-propyl-2-thiophen-2-ylimidazolidin-4-one

C15H22N2O2S — CID 83260023

IUPAC3-(2-methyloxolan-3-yl)-5-propyl-2-thiophen-2-ylimidazolidin-4-one
SMILESCCCC1NC(c2cccs2)N(C2CCOC2C)C1=O
InChIInChI=1S/C15H22N2O2S/c1-3-5-11-15(18)17(12-7-8-19-10(12)2)14(16-11)13-6-4-9-20-13/h4,6,9-12,14,16H,3,5,7-8H2,1-2H3
InChIKeyQPTAPRWZXHWFLY-UHFFFAOYSA-N
MW294.42 g/mol
LogP2.52
Rot. Bonds4

About 3-(2-methyloxolan-3-yl)-5-propyl-2-thiophen-2-ylimidazolidin-4-one

3-(2-methyloxolan-3-yl)-5-propyl-2-thiophen-2-ylimidazolidin-4-one (PubChem CID 83260023) has the molecular formula C15H22N2O2S and a molecular weight of 294.42 g/mol. Its IUPAC name is 3-(2-methyloxolan-3-yl)-5-propyl-2-thiophen-2-ylimidazolidin-4-one.

Molecular Properties

Compound Name3-(2-methyloxolan-3-yl)-5-propyl-2-thiophen-2-ylimidazolidin-4-one
PubChem CID83260023
Molecular FormulaC15H22N2O2S
Molecular Weight294.42 g/mol
Exact Mass294.14
IUPAC Name3-(2-methyloxolan-3-yl)-5-propyl-2-thiophen-2-ylimidazolidin-4-one
SMILESCCCC1NC(c2cccs2)N(C2CCOC2C)C1=O
InChIInChI=1S/C15H22N2O2S/c1-3-5-11-15(18)17(12-7-8-19-10(12)2)14(16-11)13-6-4-9-20-13/h4,6,9-12,14,16H,3,5,7-8H2,1-2H3
InChIKeyQPTAPRWZXHWFLY-UHFFFAOYSA-N
XLogP2.52
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methyloxolan-3-yl)-5-propyl-2-thiophen-2-ylimidazolidin-4-one?
The IUPAC name of 3-(2-methyloxolan-3-yl)-5-propyl-2-thiophen-2-ylimidazolidin-4-one (CID 83260023) is 3-(2-methyloxolan-3-yl)-5-propyl-2-thiophen-2-ylimidazolidin-4-one.
What is the SMILES notation for 3-(2-methyloxolan-3-yl)-5-propyl-2-thiophen-2-ylimidazolidin-4-one?
The canonical SMILES for 3-(2-methyloxolan-3-yl)-5-propyl-2-thiophen-2-ylimidazolidin-4-one is CCCC1NC(c2cccs2)N(C2CCOC2C)C1=O.
What is the InChIKey of 3-(2-methyloxolan-3-yl)-5-propyl-2-thiophen-2-ylimidazolidin-4-one?
The InChIKey is QPTAPRWZXHWFLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2S/c1-3-5-11-15(18)17(12-7-8-19-10(12)2)14(16-11)13-6-4-9-20-13/h4,6,9-12,14,16H,3,5,7-8H2,1-2H3.
What are the key properties of 3-(2-methyloxolan-3-yl)-5-propyl-2-thiophen-2-ylimidazolidin-4-one?
3-(2-methyloxolan-3-yl)-5-propyl-2-thiophen-2-ylimidazolidin-4-one has a molecular weight of 294.42 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methyloxolan-3-yl)-5-propyl-2-thiophen-2-ylimidazolidin-4-one is sourced from PubChem (CID 83260023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).