3-[4-(dimethylamino)butyl]-5-ethyl-2-thiophen-2-ylimidazolidin-4-one

C15H25N3OS — CID 83246154

IUPAC3-[4-(dimethylamino)butyl]-5-ethyl-2-thiophen-2-ylimidazolidin-4-one
SMILESCCC1NC(c2cccs2)N(CCCCN(C)C)C1=O
InChIInChI=1S/C15H25N3OS/c1-4-12-15(19)18(10-6-5-9-17(2)3)14(16-12)13-8-7-11-20-13/h7-8,11-12,14,16H,4-6,9-10H2,1-3H3
InChIKeyIOYIGYPGKQHCAP-UHFFFAOYSA-N
MW295.45 g/mol
LogP2.30
Rot. Bonds7

About 3-[4-(dimethylamino)butyl]-5-ethyl-2-thiophen-2-ylimidazolidin-4-one

3-[4-(dimethylamino)butyl]-5-ethyl-2-thiophen-2-ylimidazolidin-4-one (PubChem CID 83246154) has the molecular formula C15H25N3OS and a molecular weight of 295.45 g/mol. Its IUPAC name is 3-[4-(dimethylamino)butyl]-5-ethyl-2-thiophen-2-ylimidazolidin-4-one.

Molecular Properties

Compound Name3-[4-(dimethylamino)butyl]-5-ethyl-2-thiophen-2-ylimidazolidin-4-one
PubChem CID83246154
Molecular FormulaC15H25N3OS
Molecular Weight295.45 g/mol
Exact Mass295.17
IUPAC Name3-[4-(dimethylamino)butyl]-5-ethyl-2-thiophen-2-ylimidazolidin-4-one
SMILESCCC1NC(c2cccs2)N(CCCCN(C)C)C1=O
InChIInChI=1S/C15H25N3OS/c1-4-12-15(19)18(10-6-5-9-17(2)3)14(16-12)13-8-7-11-20-13/h7-8,11-12,14,16H,4-6,9-10H2,1-3H3
InChIKeyIOYIGYPGKQHCAP-UHFFFAOYSA-N
XLogP2.30
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.45
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-ethyl-3-(4-methylpentyl)-2-thiophen-2-ylimidazolidin-4-one
CID 83255454
5-butyl-3-pentyl-2-thiophen-2-ylimidazolidin-4-one
CID 83243552
3-hexyl-5-propyl-2-thiophen-2-ylimidazolidin-4-one
CID 83262811
3-(2-cyclohexylethyl)-5-ethyl-2-thiophen-2-ylimidazolidin-4-one
CID 83246276
3-[[1-(dimethylamino)cyclobutyl]methyl]-5-ethyl-2-thiophen-2-ylimidazolidin-4-one
CID 105421093
5-methyl-3-pentyl-2-thiophen-2-ylimidazolidin-4-one
CID 83244038
3-[2-(dimethylamino)ethyl]-5-ethyl-2-(5-methylthiophen-2-yl)imidazolidin-4-one
CID 83251342
5-ethyl-3-(2-methyl-2-methylsulfonylpropyl)-2-thiophen-2-ylimidazolidin-4-one
CID 83269104
5-butyl-3-(3-methylbutyl)-2-thiophen-2-ylimidazolidin-4-one
CID 83237065
3-(2-methylsulfonylethyl)-5-propyl-2-thiophen-2-ylimidazolidin-4-one
CID 83255729
3-[4-(dimethylamino)butyl]-5-propyl-2-thiophen-3-ylimidazolidin-4-one
CID 83245135
methyl 3-(5-oxo-4-propyl-2-thiophen-2-ylimidazolidin-1-yl)propanoate
CID 83256806

Frequently Asked Questions

What is the IUPAC name of 3-[4-(dimethylamino)butyl]-5-ethyl-2-thiophen-2-ylimidazolidin-4-one?
The IUPAC name of 3-[4-(dimethylamino)butyl]-5-ethyl-2-thiophen-2-ylimidazolidin-4-one (CID 83246154) is 3-[4-(dimethylamino)butyl]-5-ethyl-2-thiophen-2-ylimidazolidin-4-one.
What is the SMILES notation for 3-[4-(dimethylamino)butyl]-5-ethyl-2-thiophen-2-ylimidazolidin-4-one?
The canonical SMILES for 3-[4-(dimethylamino)butyl]-5-ethyl-2-thiophen-2-ylimidazolidin-4-one is CCC1NC(c2cccs2)N(CCCCN(C)C)C1=O.
What is the InChIKey of 3-[4-(dimethylamino)butyl]-5-ethyl-2-thiophen-2-ylimidazolidin-4-one?
The InChIKey is IOYIGYPGKQHCAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3OS/c1-4-12-15(19)18(10-6-5-9-17(2)3)14(16-12)13-8-7-11-20-13/h7-8,11-12,14,16H,4-6,9-10H2,1-3H3.
What are the key properties of 3-[4-(dimethylamino)butyl]-5-ethyl-2-thiophen-2-ylimidazolidin-4-one?
3-[4-(dimethylamino)butyl]-5-ethyl-2-thiophen-2-ylimidazolidin-4-one has a molecular weight of 295.45 g/mol, XLogP of 2.30, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(dimethylamino)butyl]-5-ethyl-2-thiophen-2-ylimidazolidin-4-one is sourced from PubChem (CID 83246154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).