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

C16H24N2O2S — CID 83248072

IUPAC3-(oxan-2-ylmethyl)-5-propan-2-yl-2-thiophen-3-ylimidazolidin-4-one
SMILESCC(C)C1NC(c2ccsc2)N(CC2CCCCO2)C1=O
InChIInChI=1S/C16H24N2O2S/c1-11(2)14-16(19)18(9-13-5-3-4-7-20-13)15(17-14)12-6-8-21-10-12/h6,8,10-11,13-15,17H,3-5,7,9H2,1-2H3
InChIKeyRIGIMVWYRQNOAC-UHFFFAOYSA-N
MW308.45 g/mol
LogP2.77
Rot. Bonds4

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

3-(oxan-2-ylmethyl)-5-propan-2-yl-2-thiophen-3-ylimidazolidin-4-one (PubChem CID 83248072) 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-3-ylimidazolidin-4-one.

Molecular Properties

Compound Name3-(oxan-2-ylmethyl)-5-propan-2-yl-2-thiophen-3-ylimidazolidin-4-one
PubChem CID83248072
Molecular FormulaC16H24N2O2S
Molecular Weight308.45 g/mol
Exact Mass308.16
IUPAC Name3-(oxan-2-ylmethyl)-5-propan-2-yl-2-thiophen-3-ylimidazolidin-4-one
SMILESCC(C)C1NC(c2ccsc2)N(CC2CCCCO2)C1=O
InChIInChI=1S/C16H24N2O2S/c1-11(2)14-16(19)18(9-13-5-3-4-7-20-13)15(17-14)12-6-8-21-10-12/h6,8,10-11,13-15,17H,3-5,7,9H2,1-2H3
InChIKeyRIGIMVWYRQNOAC-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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(oxan-2-ylmethyl)-5-propan-2-yl-2-thiophen-3-ylimidazolidin-4-one?
The IUPAC name of 3-(oxan-2-ylmethyl)-5-propan-2-yl-2-thiophen-3-ylimidazolidin-4-one (CID 83248072) is 3-(oxan-2-ylmethyl)-5-propan-2-yl-2-thiophen-3-ylimidazolidin-4-one.
What is the SMILES notation for 3-(oxan-2-ylmethyl)-5-propan-2-yl-2-thiophen-3-ylimidazolidin-4-one?
The canonical SMILES for 3-(oxan-2-ylmethyl)-5-propan-2-yl-2-thiophen-3-ylimidazolidin-4-one is CC(C)C1NC(c2ccsc2)N(CC2CCCCO2)C1=O.
What is the InChIKey of 3-(oxan-2-ylmethyl)-5-propan-2-yl-2-thiophen-3-ylimidazolidin-4-one?
The InChIKey is RIGIMVWYRQNOAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2S/c1-11(2)14-16(19)18(9-13-5-3-4-7-20-13)15(17-14)12-6-8-21-10-12/h6,8,10-11,13-15,17H,3-5,7,9H2,1-2H3.
What are the key properties of 3-(oxan-2-ylmethyl)-5-propan-2-yl-2-thiophen-3-ylimidazolidin-4-one?
3-(oxan-2-ylmethyl)-5-propan-2-yl-2-thiophen-3-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-3-ylimidazolidin-4-one is sourced from PubChem (CID 83248072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).