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

C15H22N2O2S — CID 83263879

IUPAC3-(oxan-3-yl)-5-propyl-2-thiophen-3-ylimidazolidin-4-one
SMILESCCCC1NC(c2ccsc2)N(C2CCCOC2)C1=O
InChIInChI=1S/C15H22N2O2S/c1-2-4-13-15(18)17(12-5-3-7-19-9-12)14(16-13)11-6-8-20-10-11/h6,8,10,12-14,16H,2-5,7,9H2,1H3
InChIKeyKXQKYJSAZXTRPV-UHFFFAOYSA-N
MW294.42 g/mol
LogP2.53
Rot. Bonds4

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

3-(oxan-3-yl)-5-propyl-2-thiophen-3-ylimidazolidin-4-one (PubChem CID 83263879) has the molecular formula C15H22N2O2S and a molecular weight of 294.42 g/mol. Its IUPAC name is 3-(oxan-3-yl)-5-propyl-2-thiophen-3-ylimidazolidin-4-one.

Molecular Properties

Compound Name3-(oxan-3-yl)-5-propyl-2-thiophen-3-ylimidazolidin-4-one
PubChem CID83263879
Molecular FormulaC15H22N2O2S
Molecular Weight294.42 g/mol
Exact Mass294.14
IUPAC Name3-(oxan-3-yl)-5-propyl-2-thiophen-3-ylimidazolidin-4-one
SMILESCCCC1NC(c2ccsc2)N(C2CCCOC2)C1=O
InChIInChI=1S/C15H22N2O2S/c1-2-4-13-15(18)17(12-5-3-7-19-9-12)14(16-13)11-6-8-20-10-11/h6,8,10,12-14,16H,2-5,7,9H2,1H3
InChIKeyKXQKYJSAZXTRPV-UHFFFAOYSA-N
XLogP2.53
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 ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-butyl-3-(oxolan-3-yl)-2-thiophen-3-ylimidazolidin-4-one
CID 83271415
5-butyl-3-cyclopentyl-2-thiophen-3-ylimidazolidin-4-one
CID 83242915
5-ethyl-5-methyl-3-(oxan-3-yl)-2-thiophen-3-ylimidazolidin-4-one
CID 83263059
3-(2-methoxycyclopentyl)-5-propyl-2-thiophen-3-ylimidazolidin-4-one
CID 83251719
5-ethyl-2-(4-methylphenyl)-3-(oxan-3-yl)imidazolidin-4-one
CID 83263894
3-(cyclobutylmethyl)-5-propyl-2-thiophen-3-ylimidazolidin-4-one
CID 83243416
3,5-dipropyl-2-thiophen-3-ylimidazolidin-4-one
CID 83242253
5-butyl-3-(oxolan-3-yl)-2-thiophen-2-ylimidazolidin-4-one
CID 83271009
3-cyclopropyl-5-(2-methylpropyl)-2-thiophen-3-ylimidazolidin-4-one
CID 83242971
2-(2-fluorophenyl)-3-(oxolan-3-yl)-5-propylimidazolidin-4-one
CID 83267208
3-(2-ethoxyethyl)-5-propyl-2-thiophen-3-ylimidazolidin-4-one
CID 83237977
3-(oxolan-3-yl)-2,5-dipropylimidazolidin-4-one
CID 83271242

Frequently Asked Questions

What is the IUPAC name of 3-(oxan-3-yl)-5-propyl-2-thiophen-3-ylimidazolidin-4-one?
The IUPAC name of 3-(oxan-3-yl)-5-propyl-2-thiophen-3-ylimidazolidin-4-one (CID 83263879) is 3-(oxan-3-yl)-5-propyl-2-thiophen-3-ylimidazolidin-4-one.
What is the SMILES notation for 3-(oxan-3-yl)-5-propyl-2-thiophen-3-ylimidazolidin-4-one?
The canonical SMILES for 3-(oxan-3-yl)-5-propyl-2-thiophen-3-ylimidazolidin-4-one is CCCC1NC(c2ccsc2)N(C2CCCOC2)C1=O.
What is the InChIKey of 3-(oxan-3-yl)-5-propyl-2-thiophen-3-ylimidazolidin-4-one?
The InChIKey is KXQKYJSAZXTRPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2S/c1-2-4-13-15(18)17(12-5-3-7-19-9-12)14(16-13)11-6-8-20-10-11/h6,8,10,12-14,16H,2-5,7,9H2,1H3.
What are the key properties of 3-(oxan-3-yl)-5-propyl-2-thiophen-3-ylimidazolidin-4-one?
3-(oxan-3-yl)-5-propyl-2-thiophen-3-ylimidazolidin-4-one has a molecular weight of 294.42 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxan-3-yl)-5-propyl-2-thiophen-3-ylimidazolidin-4-one is sourced from PubChem (CID 83263879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).