3-[[1-(dimethylamino)cyclobutyl]methyl]-2-thiophen-2-ylimidazolidin-4-one

C14H21N3OS — CID 105421086

IUPAC3-[[1-(dimethylamino)cyclobutyl]methyl]-2-thiophen-2-ylimidazolidin-4-one
SMILESCN(C)C1(CN2C(=O)CNC2c2cccs2)CCC1
InChIInChI=1S/C14H21N3OS/c1-16(2)14(6-4-7-14)10-17-12(18)9-15-13(17)11-5-3-8-19-11/h3,5,8,13,15H,4,6-7,9-10H2,1-2H3
InChIKeyDFHDBHIKUPKWKX-UHFFFAOYSA-N
MW279.41 g/mol
LogP1.66
Rot. Bonds4

About 3-[[1-(dimethylamino)cyclobutyl]methyl]-2-thiophen-2-ylimidazolidin-4-one

3-[[1-(dimethylamino)cyclobutyl]methyl]-2-thiophen-2-ylimidazolidin-4-one (PubChem CID 105421086) has the molecular formula C14H21N3OS and a molecular weight of 279.41 g/mol. Its IUPAC name is 3-[[1-(dimethylamino)cyclobutyl]methyl]-2-thiophen-2-ylimidazolidin-4-one.

Molecular Properties

Compound Name3-[[1-(dimethylamino)cyclobutyl]methyl]-2-thiophen-2-ylimidazolidin-4-one
PubChem CID105421086
Molecular FormulaC14H21N3OS
Molecular Weight279.41 g/mol
Exact Mass279.14
IUPAC Name3-[[1-(dimethylamino)cyclobutyl]methyl]-2-thiophen-2-ylimidazolidin-4-one
SMILESCN(C)C1(CN2C(=O)CNC2c2cccs2)CCC1
InChIInChI=1S/C14H21N3OS/c1-16(2)14(6-4-7-14)10-17-12(18)9-15-13(17)11-5-3-8-19-11/h3,5,8,13,15H,4,6-7,9-10H2,1-2H3
InChIKeyDFHDBHIKUPKWKX-UHFFFAOYSA-N
XLogP1.66
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.41
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[1-(dimethylamino)cyclobutyl]methyl]-5-ethyl-2-thiophen-2-ylimidazolidin-4-one
CID 105421093
3-(cyclobutylmethyl)-2-thiophen-2-ylimidazolidin-4-one
CID 83243977
3-(cyclopropylmethyl)-2-thiophen-2-ylimidazolidin-4-one
CID 83251666
3-[2-(1-methylpiperidin-4-yl)ethyl]-2-thiophen-2-ylimidazolidin-4-one
CID 114517080
3-(2-cyclohexylethyl)-2-thiophen-2-ylimidazolidin-4-one
CID 83256115
3-(5-methylhexyl)-2-thiophen-2-ylimidazolidin-4-one
CID 83260430
3-[2-(4-methylcyclohexyl)ethyl]-2-thiophen-2-ylimidazolidin-4-one
CID 83264924
3-butan-2-yl-2-thiophen-2-ylimidazolidin-4-one
CID 83239756
3-(3-methylbutan-2-yl)-2-thiophen-2-ylimidazolidin-4-one
CID 83251011
3-(2-methylcycloheptyl)-2-thiophen-2-ylimidazolidin-4-one
CID 83258933
2-thiophen-2-yl-3-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)imidazolidin-4-one
CID 83267441
3-[[1-(dimethylamino)cyclopentyl]methyl]-2-(2-methylpropyl)imidazolidin-4-one
CID 83260485

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(dimethylamino)cyclobutyl]methyl]-2-thiophen-2-ylimidazolidin-4-one?
The IUPAC name of 3-[[1-(dimethylamino)cyclobutyl]methyl]-2-thiophen-2-ylimidazolidin-4-one (CID 105421086) is 3-[[1-(dimethylamino)cyclobutyl]methyl]-2-thiophen-2-ylimidazolidin-4-one.
What is the SMILES notation for 3-[[1-(dimethylamino)cyclobutyl]methyl]-2-thiophen-2-ylimidazolidin-4-one?
The canonical SMILES for 3-[[1-(dimethylamino)cyclobutyl]methyl]-2-thiophen-2-ylimidazolidin-4-one is CN(C)C1(CN2C(=O)CNC2c2cccs2)CCC1.
What is the InChIKey of 3-[[1-(dimethylamino)cyclobutyl]methyl]-2-thiophen-2-ylimidazolidin-4-one?
The InChIKey is DFHDBHIKUPKWKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3OS/c1-16(2)14(6-4-7-14)10-17-12(18)9-15-13(17)11-5-3-8-19-11/h3,5,8,13,15H,4,6-7,9-10H2,1-2H3.
What are the key properties of 3-[[1-(dimethylamino)cyclobutyl]methyl]-2-thiophen-2-ylimidazolidin-4-one?
3-[[1-(dimethylamino)cyclobutyl]methyl]-2-thiophen-2-ylimidazolidin-4-one has a molecular weight of 279.41 g/mol, XLogP of 1.66, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(dimethylamino)cyclobutyl]methyl]-2-thiophen-2-ylimidazolidin-4-one is sourced from PubChem (CID 105421086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).