3-(3,3-dimethylbutan-2-yl)-2-thiophen-2-ylimidazolidin-4-one

C13H20N2OS — CID 113458147

IUPAC3-(3,3-dimethylbutan-2-yl)-2-thiophen-2-ylimidazolidin-4-one
SMILESCC(N1C(=O)CNC1c1cccs1)C(C)(C)C
InChIInChI=1S/C13H20N2OS/c1-9(13(2,3)4)15-11(16)8-14-12(15)10-6-5-7-17-10/h5-7,9,12,14H,8H2,1-4H3
InChIKeyKBFVQXPDFMTZTE-UHFFFAOYSA-N
MW252.38 g/mol
LogP2.61
Rot. Bonds2

About 3-(3,3-dimethylbutan-2-yl)-2-thiophen-2-ylimidazolidin-4-one

3-(3,3-dimethylbutan-2-yl)-2-thiophen-2-ylimidazolidin-4-one (PubChem CID 113458147) has the molecular formula C13H20N2OS and a molecular weight of 252.38 g/mol. Its IUPAC name is 3-(3,3-dimethylbutan-2-yl)-2-thiophen-2-ylimidazolidin-4-one.

Molecular Properties

Compound Name3-(3,3-dimethylbutan-2-yl)-2-thiophen-2-ylimidazolidin-4-one
PubChem CID113458147
Molecular FormulaC13H20N2OS
Molecular Weight252.38 g/mol
Exact Mass252.13
IUPAC Name3-(3,3-dimethylbutan-2-yl)-2-thiophen-2-ylimidazolidin-4-one
SMILESCC(N1C(=O)CNC1c1cccs1)C(C)(C)C
InChIInChI=1S/C13H20N2OS/c1-9(13(2,3)4)15-11(16)8-14-12(15)10-6-5-7-17-10/h5-7,9,12,14H,8H2,1-4H3
InChIKeyKBFVQXPDFMTZTE-UHFFFAOYSA-N
XLogP2.61
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.38
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-methylbutan-2-yl)-2-thiophen-2-ylimidazolidin-4-one
CID 83251011
3-butan-2-yl-2-thiophen-2-ylimidazolidin-4-one
CID 83239756
3-(3,3-dimethylbutan-2-yl)-2-(4-fluorophenyl)imidazolidin-4-one
CID 114983582
3-(3,3-dimethylbutan-2-yl)-2-(2,4-dimethylphenyl)imidazolidin-4-one
CID 114983586
3-(5-methylhexyl)-2-thiophen-2-ylimidazolidin-4-one
CID 83260430
3-(3,3-dimethylbutan-2-yl)-2-methylimidazolidin-4-one
CID 104830759
3-(3,3-dimethylbutan-2-yl)-2-(4-nitrophenyl)imidazolidin-4-one
CID 114983567
3-(cyclopropylmethyl)-2-thiophen-2-ylimidazolidin-4-one
CID 83251666
3-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-2-thiophen-2-ylimidazolidin-4-one
CID 83264573
3-(2-methylcycloheptyl)-2-thiophen-2-ylimidazolidin-4-one
CID 83258933
3-[2-(4-methylcyclohexyl)ethyl]-2-thiophen-2-ylimidazolidin-4-one
CID 83264924
3-[2-(1-methylpiperidin-4-yl)ethyl]-2-thiophen-2-ylimidazolidin-4-one
CID 114517080

Frequently Asked Questions

What is the IUPAC name of 3-(3,3-dimethylbutan-2-yl)-2-thiophen-2-ylimidazolidin-4-one?
The IUPAC name of 3-(3,3-dimethylbutan-2-yl)-2-thiophen-2-ylimidazolidin-4-one (CID 113458147) is 3-(3,3-dimethylbutan-2-yl)-2-thiophen-2-ylimidazolidin-4-one.
What is the SMILES notation for 3-(3,3-dimethylbutan-2-yl)-2-thiophen-2-ylimidazolidin-4-one?
The canonical SMILES for 3-(3,3-dimethylbutan-2-yl)-2-thiophen-2-ylimidazolidin-4-one is CC(N1C(=O)CNC1c1cccs1)C(C)(C)C.
What is the InChIKey of 3-(3,3-dimethylbutan-2-yl)-2-thiophen-2-ylimidazolidin-4-one?
The InChIKey is KBFVQXPDFMTZTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2OS/c1-9(13(2,3)4)15-11(16)8-14-12(15)10-6-5-7-17-10/h5-7,9,12,14H,8H2,1-4H3.
What are the key properties of 3-(3,3-dimethylbutan-2-yl)-2-thiophen-2-ylimidazolidin-4-one?
3-(3,3-dimethylbutan-2-yl)-2-thiophen-2-ylimidazolidin-4-one has a molecular weight of 252.38 g/mol, XLogP of 2.61, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,3-dimethylbutan-2-yl)-2-thiophen-2-ylimidazolidin-4-one is sourced from PubChem (CID 113458147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).