3-[[1-(dimethylamino)cyclobutyl]methyl]-5-ethyl-2-thiophen-2-ylimidazolidin-4-one

C16H25N3OS — CID 105421093

IUPAC3-[[1-(dimethylamino)cyclobutyl]methyl]-5-ethyl-2-thiophen-2-ylimidazolidin-4-one
SMILESCCC1NC(c2cccs2)N(CC2(N(C)C)CCC2)C1=O
InChIInChI=1S/C16H25N3OS/c1-4-12-15(20)19(11-16(18(2)3)8-6-9-16)14(17-12)13-7-5-10-21-13/h5,7,10,12,14,17H,4,6,8-9,11H2,1-3H3
InChIKeyVSJMMOCXEQHJHI-UHFFFAOYSA-N
MW307.46 g/mol
LogP2.44
Rot. Bonds5

About 3-[[1-(dimethylamino)cyclobutyl]methyl]-5-ethyl-2-thiophen-2-ylimidazolidin-4-one

3-[[1-(dimethylamino)cyclobutyl]methyl]-5-ethyl-2-thiophen-2-ylimidazolidin-4-one (PubChem CID 105421093) has the molecular formula C16H25N3OS and a molecular weight of 307.46 g/mol. Its IUPAC name is 3-[[1-(dimethylamino)cyclobutyl]methyl]-5-ethyl-2-thiophen-2-ylimidazolidin-4-one.

Molecular Properties

Compound Name3-[[1-(dimethylamino)cyclobutyl]methyl]-5-ethyl-2-thiophen-2-ylimidazolidin-4-one
PubChem CID105421093
Molecular FormulaC16H25N3OS
Molecular Weight307.46 g/mol
Exact Mass307.17
IUPAC Name3-[[1-(dimethylamino)cyclobutyl]methyl]-5-ethyl-2-thiophen-2-ylimidazolidin-4-one
SMILESCCC1NC(c2cccs2)N(CC2(N(C)C)CCC2)C1=O
InChIInChI=1S/C16H25N3OS/c1-4-12-15(20)19(11-16(18(2)3)8-6-9-16)14(17-12)13-7-5-10-21-13/h5,7,10,12,14,17H,4,6,8-9,11H2,1-3H3
InChIKeyVSJMMOCXEQHJHI-UHFFFAOYSA-N
XLogP2.44
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.46
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[1-(dimethylamino)cyclobutyl]methyl]-2-thiophen-2-ylimidazolidin-4-one
CID 105421086
3-[4-(dimethylamino)butyl]-5-ethyl-2-thiophen-2-ylimidazolidin-4-one
CID 83246154
3-(2-cyclohexylethyl)-5-ethyl-2-thiophen-2-ylimidazolidin-4-one
CID 83246276
5-ethyl-3-(thian-2-ylmethyl)-2-thiophen-2-ylimidazolidin-4-one
CID 83270283
3-[(2-methylthiolan-2-yl)methyl]-5-propyl-2-thiophen-2-ylimidazolidin-4-one
CID 83268306
5-ethyl-3-(4-methylpentyl)-2-thiophen-2-ylimidazolidin-4-one
CID 83255454
5-ethyl-3-(2-methyl-2-methylsulfonylpropyl)-2-thiophen-2-ylimidazolidin-4-one
CID 83269104
5-ethyl-3-(2-ethylcyclohexyl)-2-thiophen-2-ylimidazolidin-4-one
CID 83253806
5-ethyl-3-(4-methylcyclohexyl)-2-thiophen-2-ylimidazolidin-4-one
CID 83239488
5-butyl-3-pentyl-2-thiophen-2-ylimidazolidin-4-one
CID 83243552
3-[1-(diethylamino)propan-2-yl]-5-ethyl-2-thiophen-2-ylimidazolidin-4-one
CID 83252436
3-(1-cyclopropylbutan-2-yl)-5-ethyl-2-thiophen-2-ylimidazolidin-4-one
CID 83264067

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(dimethylamino)cyclobutyl]methyl]-5-ethyl-2-thiophen-2-ylimidazolidin-4-one?
The IUPAC name of 3-[[1-(dimethylamino)cyclobutyl]methyl]-5-ethyl-2-thiophen-2-ylimidazolidin-4-one (CID 105421093) is 3-[[1-(dimethylamino)cyclobutyl]methyl]-5-ethyl-2-thiophen-2-ylimidazolidin-4-one.
What is the SMILES notation for 3-[[1-(dimethylamino)cyclobutyl]methyl]-5-ethyl-2-thiophen-2-ylimidazolidin-4-one?
The canonical SMILES for 3-[[1-(dimethylamino)cyclobutyl]methyl]-5-ethyl-2-thiophen-2-ylimidazolidin-4-one is CCC1NC(c2cccs2)N(CC2(N(C)C)CCC2)C1=O.
What is the InChIKey of 3-[[1-(dimethylamino)cyclobutyl]methyl]-5-ethyl-2-thiophen-2-ylimidazolidin-4-one?
The InChIKey is VSJMMOCXEQHJHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3OS/c1-4-12-15(20)19(11-16(18(2)3)8-6-9-16)14(17-12)13-7-5-10-21-13/h5,7,10,12,14,17H,4,6,8-9,11H2,1-3H3.
What are the key properties of 3-[[1-(dimethylamino)cyclobutyl]methyl]-5-ethyl-2-thiophen-2-ylimidazolidin-4-one?
3-[[1-(dimethylamino)cyclobutyl]methyl]-5-ethyl-2-thiophen-2-ylimidazolidin-4-one has a molecular weight of 307.46 g/mol, XLogP of 2.44, 5 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]-5-ethyl-2-thiophen-2-ylimidazolidin-4-one is sourced from PubChem (CID 105421093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).