2-(5-methylthiophen-2-yl)-3-(oxan-4-yl)-5-propylimidazolidin-4-one

C16H24N2O2S — CID 83245482

IUPAC2-(5-methylthiophen-2-yl)-3-(oxan-4-yl)-5-propylimidazolidin-4-one
SMILESCCCC1NC(c2ccc(C)s2)N(C2CCOCC2)C1=O
InChIInChI=1S/C16H24N2O2S/c1-3-4-13-16(19)18(12-7-9-20-10-8-12)15(17-13)14-6-5-11(2)21-14/h5-6,12-13,15,17H,3-4,7-10H2,1-2H3
InChIKeyDAMKTDMFZFUQJW-UHFFFAOYSA-N
MW308.45 g/mol
LogP2.83
Rot. Bonds4

About 2-(5-methylthiophen-2-yl)-3-(oxan-4-yl)-5-propylimidazolidin-4-one

2-(5-methylthiophen-2-yl)-3-(oxan-4-yl)-5-propylimidazolidin-4-one (PubChem CID 83245482) has the molecular formula C16H24N2O2S and a molecular weight of 308.45 g/mol. Its IUPAC name is 2-(5-methylthiophen-2-yl)-3-(oxan-4-yl)-5-propylimidazolidin-4-one.

Molecular Properties

Compound Name2-(5-methylthiophen-2-yl)-3-(oxan-4-yl)-5-propylimidazolidin-4-one
PubChem CID83245482
Molecular FormulaC16H24N2O2S
Molecular Weight308.45 g/mol
Exact Mass308.16
IUPAC Name2-(5-methylthiophen-2-yl)-3-(oxan-4-yl)-5-propylimidazolidin-4-one
SMILESCCCC1NC(c2ccc(C)s2)N(C2CCOCC2)C1=O
InChIInChI=1S/C16H24N2O2S/c1-3-4-13-16(19)18(12-7-9-20-10-8-12)15(17-13)14-6-5-11(2)21-14/h5-6,12-13,15,17H,3-4,7-10H2,1-2H3
InChIKeyDAMKTDMFZFUQJW-UHFFFAOYSA-N
XLogP2.83
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.45
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-butyl-3-cyclopropyl-2-(5-methylthiophen-2-yl)imidazolidin-4-one
CID 83242881
3-(1-methylpyrrolidin-3-yl)-2-(5-methylthiophen-2-yl)-5-propylimidazolidin-4-one
CID 83252605
3-(2-methylcyclopentyl)-2-(5-methylthiophen-2-yl)-5-propylimidazolidin-4-one
CID 83264047
2-ethyl-3-(oxan-4-yl)-5-propylimidazolidin-4-one
CID 83256508
5-ethyl-2-(5-methylthiophen-2-yl)-3-(thiolan-3-yl)imidazolidin-4-one
CID 103065521
5-butyl-3-(oxolan-3-yl)-2-thiophen-2-ylimidazolidin-4-one
CID 83271009
2-(2-fluorophenyl)-3-(oxolan-3-yl)-5-propylimidazolidin-4-one
CID 83267208
3-cycloheptyl-5-methyl-2-(5-methylthiophen-2-yl)imidazolidin-4-one
CID 83243481
3-cyclopropyl-2-(2-methylphenyl)-5-propylimidazolidin-4-one
CID 83243070
3-(3-methylpentan-2-yl)-2-(5-methylthiophen-2-yl)-5-propylimidazolidin-4-one
CID 83247626
5-(2-methylpropyl)-2-(5-methylthiophen-2-yl)-3-(thiolan-3-yl)imidazolidin-4-one
CID 103065430
5-methyl-3-(1-methylpiperidin-4-yl)-2-(5-methylthiophen-2-yl)imidazolidin-4-one
CID 83244068

Frequently Asked Questions

What is the IUPAC name of 2-(5-methylthiophen-2-yl)-3-(oxan-4-yl)-5-propylimidazolidin-4-one?
The IUPAC name of 2-(5-methylthiophen-2-yl)-3-(oxan-4-yl)-5-propylimidazolidin-4-one (CID 83245482) is 2-(5-methylthiophen-2-yl)-3-(oxan-4-yl)-5-propylimidazolidin-4-one.
What is the SMILES notation for 2-(5-methylthiophen-2-yl)-3-(oxan-4-yl)-5-propylimidazolidin-4-one?
The canonical SMILES for 2-(5-methylthiophen-2-yl)-3-(oxan-4-yl)-5-propylimidazolidin-4-one is CCCC1NC(c2ccc(C)s2)N(C2CCOCC2)C1=O.
What is the InChIKey of 2-(5-methylthiophen-2-yl)-3-(oxan-4-yl)-5-propylimidazolidin-4-one?
The InChIKey is DAMKTDMFZFUQJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2S/c1-3-4-13-16(19)18(12-7-9-20-10-8-12)15(17-13)14-6-5-11(2)21-14/h5-6,12-13,15,17H,3-4,7-10H2,1-2H3.
What are the key properties of 2-(5-methylthiophen-2-yl)-3-(oxan-4-yl)-5-propylimidazolidin-4-one?
2-(5-methylthiophen-2-yl)-3-(oxan-4-yl)-5-propylimidazolidin-4-one has a molecular weight of 308.45 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methylthiophen-2-yl)-3-(oxan-4-yl)-5-propylimidazolidin-4-one is sourced from PubChem (CID 83245482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).