5-butyl-3-(oxolan-3-yl)-2-thiophen-2-ylimidazolidin-4-one

C15H22N2O2S — CID 83271009

IUPAC5-butyl-3-(oxolan-3-yl)-2-thiophen-2-ylimidazolidin-4-one
SMILESCCCCC1NC(c2cccs2)N(C2CCOC2)C1=O
InChIInChI=1S/C15H22N2O2S/c1-2-3-5-12-15(18)17(11-7-8-19-10-11)14(16-12)13-6-4-9-20-13/h4,6,9,11-12,14,16H,2-3,5,7-8,10H2,1H3
InChIKeyBGRJKAFNTNNXHO-UHFFFAOYSA-N
MW294.42 g/mol
LogP2.53
Rot. Bonds5

About 5-butyl-3-(oxolan-3-yl)-2-thiophen-2-ylimidazolidin-4-one

5-butyl-3-(oxolan-3-yl)-2-thiophen-2-ylimidazolidin-4-one (PubChem CID 83271009) has the molecular formula C15H22N2O2S and a molecular weight of 294.42 g/mol. Its IUPAC name is 5-butyl-3-(oxolan-3-yl)-2-thiophen-2-ylimidazolidin-4-one.

Molecular Properties

Compound Name5-butyl-3-(oxolan-3-yl)-2-thiophen-2-ylimidazolidin-4-one
PubChem CID83271009
Molecular FormulaC15H22N2O2S
Molecular Weight294.42 g/mol
Exact Mass294.14
IUPAC Name5-butyl-3-(oxolan-3-yl)-2-thiophen-2-ylimidazolidin-4-one
SMILESCCCCC1NC(c2cccs2)N(C2CCOC2)C1=O
InChIInChI=1S/C15H22N2O2S/c1-2-3-5-12-15(18)17(11-7-8-19-10-11)14(16-12)13-6-4-9-20-13/h4,6,9,11-12,14,16H,2-3,5,7-8,10H2,1H3
InChIKeyBGRJKAFNTNNXHO-UHFFFAOYSA-N
XLogP2.53
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
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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Frequently Asked Questions

What is the IUPAC name of 5-butyl-3-(oxolan-3-yl)-2-thiophen-2-ylimidazolidin-4-one?
The IUPAC name of 5-butyl-3-(oxolan-3-yl)-2-thiophen-2-ylimidazolidin-4-one (CID 83271009) is 5-butyl-3-(oxolan-3-yl)-2-thiophen-2-ylimidazolidin-4-one.
What is the SMILES notation for 5-butyl-3-(oxolan-3-yl)-2-thiophen-2-ylimidazolidin-4-one?
The canonical SMILES for 5-butyl-3-(oxolan-3-yl)-2-thiophen-2-ylimidazolidin-4-one is CCCCC1NC(c2cccs2)N(C2CCOC2)C1=O.
What is the InChIKey of 5-butyl-3-(oxolan-3-yl)-2-thiophen-2-ylimidazolidin-4-one?
The InChIKey is BGRJKAFNTNNXHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2S/c1-2-3-5-12-15(18)17(11-7-8-19-10-11)14(16-12)13-6-4-9-20-13/h4,6,9,11-12,14,16H,2-3,5,7-8,10H2,1H3.
What are the key properties of 5-butyl-3-(oxolan-3-yl)-2-thiophen-2-ylimidazolidin-4-one?
5-butyl-3-(oxolan-3-yl)-2-thiophen-2-ylimidazolidin-4-one has a molecular weight of 294.42 g/mol, XLogP of 2.53, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-3-(oxolan-3-yl)-2-thiophen-2-ylimidazolidin-4-one is sourced from PubChem (CID 83271009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).