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

C16H24N2O2S — CID 83247866

IUPAC3-(oxan-2-ylmethyl)-5-propan-2-yl-2-thiophen-2-ylimidazolidin-4-one
SMILESCC(C)C1NC(c2cccs2)N(CC2CCCCO2)C1=O
InChIInChI=1S/C16H24N2O2S/c1-11(2)14-16(19)18(10-12-6-3-4-8-20-12)15(17-14)13-7-5-9-21-13/h5,7,9,11-12,14-15,17H,3-4,6,8,10H2,1-2H3
InChIKeyJBTTZOBFDLHKSZ-UHFFFAOYSA-N
MW308.45 g/mol
LogP2.77
Rot. Bonds4

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

3-(oxan-2-ylmethyl)-5-propan-2-yl-2-thiophen-2-ylimidazolidin-4-one (PubChem CID 83247866) has the molecular formula C16H24N2O2S and a molecular weight of 308.45 g/mol. Its IUPAC name is 3-(oxan-2-ylmethyl)-5-propan-2-yl-2-thiophen-2-ylimidazolidin-4-one.

Molecular Properties

Compound Name3-(oxan-2-ylmethyl)-5-propan-2-yl-2-thiophen-2-ylimidazolidin-4-one
PubChem CID83247866
Molecular FormulaC16H24N2O2S
Molecular Weight308.45 g/mol
Exact Mass308.16
IUPAC Name3-(oxan-2-ylmethyl)-5-propan-2-yl-2-thiophen-2-ylimidazolidin-4-one
SMILESCC(C)C1NC(c2cccs2)N(CC2CCCCO2)C1=O
InChIInChI=1S/C16H24N2O2S/c1-11(2)14-16(19)18(10-12-6-3-4-8-20-12)15(17-14)13-7-5-9-21-13/h5,7,9,11-12,14-15,17H,3-4,6,8,10H2,1-2H3
InChIKeyJBTTZOBFDLHKSZ-UHFFFAOYSA-N
XLogP2.77
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 ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-ethyl-5-propan-2-yl-2-thiophen-2-ylimidazolidin-4-one
CID 83239257
2-methyl-3-(oxan-2-ylmethyl)-5-propan-2-ylimidazolidin-4-one
CID 83256490
3-(2-methyloxolan-3-yl)-5-propan-2-yl-2-thiophen-2-ylimidazolidin-4-one
CID 83260026
3-cyclohexyl-5-propan-2-yl-2-thiophen-2-ylimidazolidin-4-one
CID 83242357
2-cyclopentyl-3-(oxolan-2-ylmethyl)-5-propan-2-ylimidazolidin-4-one
CID 83251558
5-ethyl-5-methyl-3-(oxolan-2-ylmethyl)-2-thiophen-2-ylimidazolidin-4-one
CID 83250456
5-butan-2-yl-3-(thiolan-2-ylmethyl)-2-thiophen-2-ylimidazolidin-4-one
CID 83270001
3-(cyclopentylmethyl)-2-(5-methylthiophen-2-yl)-5-propan-2-ylimidazolidin-4-one
CID 83247562
3-(3-methylpentan-2-yl)-5-propan-2-yl-2-thiophen-2-ylimidazolidin-4-one
CID 83245275
2-cyclopentyl-3-(1,4-dioxan-2-ylmethyl)-5-propan-2-ylimidazolidin-4-one
CID 83246555
3-(1-methylsulfonylpropan-2-yl)-5-propan-2-yl-2-thiophen-2-ylimidazolidin-4-one
CID 83263977
3-[2-(oxan-2-yl)ethyl]-5-propan-2-yl-2-propylimidazolidin-4-one
CID 106000051

Frequently Asked Questions

What is the IUPAC name of 3-(oxan-2-ylmethyl)-5-propan-2-yl-2-thiophen-2-ylimidazolidin-4-one?
The IUPAC name of 3-(oxan-2-ylmethyl)-5-propan-2-yl-2-thiophen-2-ylimidazolidin-4-one (CID 83247866) is 3-(oxan-2-ylmethyl)-5-propan-2-yl-2-thiophen-2-ylimidazolidin-4-one.
What is the SMILES notation for 3-(oxan-2-ylmethyl)-5-propan-2-yl-2-thiophen-2-ylimidazolidin-4-one?
The canonical SMILES for 3-(oxan-2-ylmethyl)-5-propan-2-yl-2-thiophen-2-ylimidazolidin-4-one is CC(C)C1NC(c2cccs2)N(CC2CCCCO2)C1=O.
What is the InChIKey of 3-(oxan-2-ylmethyl)-5-propan-2-yl-2-thiophen-2-ylimidazolidin-4-one?
The InChIKey is JBTTZOBFDLHKSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2S/c1-11(2)14-16(19)18(10-12-6-3-4-8-20-12)15(17-14)13-7-5-9-21-13/h5,7,9,11-12,14-15,17H,3-4,6,8,10H2,1-2H3.
What are the key properties of 3-(oxan-2-ylmethyl)-5-propan-2-yl-2-thiophen-2-ylimidazolidin-4-one?
3-(oxan-2-ylmethyl)-5-propan-2-yl-2-thiophen-2-ylimidazolidin-4-one has a molecular weight of 308.45 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxan-2-ylmethyl)-5-propan-2-yl-2-thiophen-2-ylimidazolidin-4-one is sourced from PubChem (CID 83247866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).