1-methyl-3-(4-oxo-4-thiophen-2-ylbutyl)imidazolidin-2-one

C12H16N2O2S — CID 62491674

IUPAC1-methyl-3-(4-oxo-4-thiophen-2-ylbutyl)imidazolidin-2-one
SMILESCN1CCN(CCCC(=O)c2cccs2)C1=O
InChIInChI=1S/C12H16N2O2S/c1-13-7-8-14(12(13)16)6-2-4-10(15)11-5-3-9-17-11/h3,5,9H,2,4,6-8H2,1H3
InChIKeyQKOQAJHLWUIZBV-UHFFFAOYSA-N
MW252.34 g/mol
LogP2.08
Rot. Bonds5

About 1-methyl-3-(4-oxo-4-thiophen-2-ylbutyl)imidazolidin-2-one

1-methyl-3-(4-oxo-4-thiophen-2-ylbutyl)imidazolidin-2-one (PubChem CID 62491674) has the molecular formula C12H16N2O2S and a molecular weight of 252.34 g/mol. Its IUPAC name is 1-methyl-3-(4-oxo-4-thiophen-2-ylbutyl)imidazolidin-2-one.

Molecular Properties

Compound Name1-methyl-3-(4-oxo-4-thiophen-2-ylbutyl)imidazolidin-2-one
PubChem CID62491674
Molecular FormulaC12H16N2O2S
Molecular Weight252.34 g/mol
Exact Mass252.09
IUPAC Name1-methyl-3-(4-oxo-4-thiophen-2-ylbutyl)imidazolidin-2-one
SMILESCN1CCN(CCCC(=O)c2cccs2)C1=O
InChIInChI=1S/C12H16N2O2S/c1-13-7-8-14(12(13)16)6-2-4-10(15)11-5-3-9-17-11/h3,5,9H,2,4,6-8H2,1H3
InChIKeyQKOQAJHLWUIZBV-UHFFFAOYSA-N
XLogP2.08
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.34
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-ethylpiperazin-1-yl)-1-thiophen-2-ylbutan-1-one
CID 43229376
3-(4-ethylpiperazin-1-yl)-1-thiophen-2-ylpropan-1-one
CID 94270119
4-(4-butan-2-ylpiperazin-1-yl)-1-thiophen-2-ylbutan-1-one
CID 62773651
4-(4-oxo-4-thiophen-2-ylbutyl)piperazin-2-one
CID 60692143
3-(4-methylpiperazin-1-yl)-1-thiophen-2-ylpropan-1-one;dihydrochloride
CID 12739150
2-(4-methyl-2,3-dihydroquinoxalin-1-yl)-1-thiophen-2-ylethanone
CID 63778575
1-thiophen-2-yl-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butan-1-one
CID 62968235
4-[3-(dimethylamino)pyrrolidin-1-yl]-1-thiophen-2-ylbutan-1-one
CID 63163843
4-amino-1-thiophen-2-ylbutan-1-one
CID 55267003
5-hydroxy-1-thiophen-2-ylpentan-1-one
CID 102168662
4-pyrazol-1-yl-1-thiophen-2-ylbutan-1-one
CID 43793295
3-(4-acetylpiperazin-1-yl)-1-thiophen-2-ylpropan-1-one
CID 82122856

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(4-oxo-4-thiophen-2-ylbutyl)imidazolidin-2-one?
The IUPAC name of 1-methyl-3-(4-oxo-4-thiophen-2-ylbutyl)imidazolidin-2-one (CID 62491674) is 1-methyl-3-(4-oxo-4-thiophen-2-ylbutyl)imidazolidin-2-one.
What is the SMILES notation for 1-methyl-3-(4-oxo-4-thiophen-2-ylbutyl)imidazolidin-2-one?
The canonical SMILES for 1-methyl-3-(4-oxo-4-thiophen-2-ylbutyl)imidazolidin-2-one is CN1CCN(CCCC(=O)c2cccs2)C1=O.
What is the InChIKey of 1-methyl-3-(4-oxo-4-thiophen-2-ylbutyl)imidazolidin-2-one?
The InChIKey is QKOQAJHLWUIZBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2S/c1-13-7-8-14(12(13)16)6-2-4-10(15)11-5-3-9-17-11/h3,5,9H,2,4,6-8H2,1H3.
What are the key properties of 1-methyl-3-(4-oxo-4-thiophen-2-ylbutyl)imidazolidin-2-one?
1-methyl-3-(4-oxo-4-thiophen-2-ylbutyl)imidazolidin-2-one has a molecular weight of 252.34 g/mol, XLogP of 2.08, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(4-oxo-4-thiophen-2-ylbutyl)imidazolidin-2-one is sourced from PubChem (CID 62491674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).