3,5-diethyl-5-methyl-2-thiophen-2-ylimidazolidin-4-one

C12H18N2OS — CID 83238689

IUPAC3,5-diethyl-5-methyl-2-thiophen-2-ylimidazolidin-4-one
SMILESCCN1C(=O)C(C)(CC)NC1c1cccs1
InChIInChI=1S/C12H18N2OS/c1-4-12(3)11(15)14(5-2)10(13-12)9-7-6-8-16-9/h6-8,10,13H,4-5H2,1-3H3
InChIKeyKZFJXNIYZMVQIZ-UHFFFAOYSA-N
MW238.36 g/mol
LogP2.37
Rot. Bonds3

About 3,5-diethyl-5-methyl-2-thiophen-2-ylimidazolidin-4-one

3,5-diethyl-5-methyl-2-thiophen-2-ylimidazolidin-4-one (PubChem CID 83238689) has the molecular formula C12H18N2OS and a molecular weight of 238.36 g/mol. Its IUPAC name is 3,5-diethyl-5-methyl-2-thiophen-2-ylimidazolidin-4-one.

Molecular Properties

Compound Name3,5-diethyl-5-methyl-2-thiophen-2-ylimidazolidin-4-one
PubChem CID83238689
Molecular FormulaC12H18N2OS
Molecular Weight238.36 g/mol
Exact Mass238.11
IUPAC Name3,5-diethyl-5-methyl-2-thiophen-2-ylimidazolidin-4-one
SMILESCCN1C(=O)C(C)(CC)NC1c1cccs1
InChIInChI=1S/C12H18N2OS/c1-4-12(3)11(15)14(5-2)10(13-12)9-7-6-8-16-9/h6-8,10,13H,4-5H2,1-3H3
InChIKeyKZFJXNIYZMVQIZ-UHFFFAOYSA-N
XLogP2.37
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.36
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-ethyl-5-methyl-3-(2,2,3,3-tetrafluoropropyl)-2-thiophen-2-ylimidazolidin-4-one
CID 106291416
5-ethyl-5-methyl-3-(oxolan-2-ylmethyl)-2-thiophen-2-ylimidazolidin-4-one
CID 83250456
3-cyclohexyl-5-ethyl-5-methyl-2-thiophen-2-ylimidazolidin-4-one
CID 83242536
3,5-diethyl-2-(4-fluorophenyl)-5-methylimidazolidin-4-one
CID 83238688
3-[4-(dimethylamino)butan-2-yl]-5-ethyl-5-methyl-2-thiophen-2-ylimidazolidin-4-one
CID 83253324
3,5-diethyl-5-methyl-2-[4-(trifluoromethyl)phenyl]imidazolidin-4-one
CID 83238790
3-ethyl-5-propan-2-yl-2-thiophen-2-ylimidazolidin-4-one
CID 83239257
2-(2,5-dimethylphenyl)-3,5-diethyl-5-methylimidazolidin-4-one
CID 83239174
6-[2-(dimethylamino)propyl]-5-thiophen-2-yl-4,6-diazaspiro[2.4]heptan-7-one
CID 83249157
5-ethyl-5-methyl-2-(5-methylthiophen-2-yl)-3-(3,3,3-trifluoropropyl)imidazolidin-4-one
CID 83248709
5-methyl-3-pentyl-2-thiophen-2-ylimidazolidin-4-one
CID 83244038
6-[(2-methylcyclohexyl)methyl]-5-thiophen-2-yl-4,6-diazaspiro[2.4]heptan-7-one
CID 83247835

Frequently Asked Questions

What is the IUPAC name of 3,5-diethyl-5-methyl-2-thiophen-2-ylimidazolidin-4-one?
The IUPAC name of 3,5-diethyl-5-methyl-2-thiophen-2-ylimidazolidin-4-one (CID 83238689) is 3,5-diethyl-5-methyl-2-thiophen-2-ylimidazolidin-4-one.
What is the SMILES notation for 3,5-diethyl-5-methyl-2-thiophen-2-ylimidazolidin-4-one?
The canonical SMILES for 3,5-diethyl-5-methyl-2-thiophen-2-ylimidazolidin-4-one is CCN1C(=O)C(C)(CC)NC1c1cccs1.
What is the InChIKey of 3,5-diethyl-5-methyl-2-thiophen-2-ylimidazolidin-4-one?
The InChIKey is KZFJXNIYZMVQIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2OS/c1-4-12(3)11(15)14(5-2)10(13-12)9-7-6-8-16-9/h6-8,10,13H,4-5H2,1-3H3.
What are the key properties of 3,5-diethyl-5-methyl-2-thiophen-2-ylimidazolidin-4-one?
3,5-diethyl-5-methyl-2-thiophen-2-ylimidazolidin-4-one has a molecular weight of 238.36 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-diethyl-5-methyl-2-thiophen-2-ylimidazolidin-4-one is sourced from PubChem (CID 83238689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).