3-(2-butoxyethyl)-5-ethyl-5-methyl-2-thiophen-3-ylimidazolidin-4-one

C16H26N2O2S — CID 83253506

IUPAC3-(2-butoxyethyl)-5-ethyl-5-methyl-2-thiophen-3-ylimidazolidin-4-one
SMILESCCCCOCCN1C(=O)C(C)(CC)NC1c1ccsc1
InChIInChI=1S/C16H26N2O2S/c1-4-6-9-20-10-8-18-14(13-7-11-21-12-13)17-16(3,5-2)15(18)19/h7,11-12,14,17H,4-6,8-10H2,1-3H3
InChIKeyFQGZCLGXRCARIE-UHFFFAOYSA-N
MW310.46 g/mol
LogP3.16
Rot. Bonds8

About 3-(2-butoxyethyl)-5-ethyl-5-methyl-2-thiophen-3-ylimidazolidin-4-one

3-(2-butoxyethyl)-5-ethyl-5-methyl-2-thiophen-3-ylimidazolidin-4-one (PubChem CID 83253506) has the molecular formula C16H26N2O2S and a molecular weight of 310.46 g/mol. Its IUPAC name is 3-(2-butoxyethyl)-5-ethyl-5-methyl-2-thiophen-3-ylimidazolidin-4-one.

Molecular Properties

Compound Name3-(2-butoxyethyl)-5-ethyl-5-methyl-2-thiophen-3-ylimidazolidin-4-one
PubChem CID83253506
Molecular FormulaC16H26N2O2S
Molecular Weight310.46 g/mol
Exact Mass310.17
IUPAC Name3-(2-butoxyethyl)-5-ethyl-5-methyl-2-thiophen-3-ylimidazolidin-4-one
SMILESCCCCOCCN1C(=O)C(C)(CC)NC1c1ccsc1
InChIInChI=1S/C16H26N2O2S/c1-4-6-9-20-10-8-18-14(13-7-11-21-12-13)17-16(3,5-2)15(18)19/h7,11-12,14,17H,4-6,8-10H2,1-3H3
InChIKeyFQGZCLGXRCARIE-UHFFFAOYSA-N
XLogP3.16
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.46
LogP ≤ 53.16
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

3-[4-(dimethylamino)butyl]-5-ethyl-5-methyl-2-thiophen-3-ylimidazolidin-4-one
CID 83245133
5-ethyl-5-methyl-3-[2-[methyl(propan-2-yl)amino]ethyl]-2-thiophen-3-ylimidazolidin-4-one
CID 83252874
3-(cyclobutylmethyl)-5-ethyl-5-methyl-2-thiophen-3-ylimidazolidin-4-one
CID 83244229
3-(2,3-dimethylbutyl)-5-ethyl-5-methyl-2-thiophen-3-ylimidazolidin-4-one
CID 83259458
3-(2-butoxyethyl)-2-cyclopentyl-5-ethyl-5-methylimidazolidin-4-one
CID 83253164
5-ethyl-5-methyl-3-[(2-methylcyclopentyl)methyl]-2-thiophen-3-ylimidazolidin-4-one
CID 107421445
6-octyl-5-thiophen-3-yl-4,6-diazaspiro[2.4]heptan-7-one
CID 83270030
3-(3-ethoxypropyl)-5-ethyl-5-methyl-2-phenylimidazolidin-4-one
CID 83233708
2-(4-chlorophenyl)-3-(2-ethoxyethyl)-5-ethyl-5-methylimidazolidin-4-one
CID 83232560
5-ethyl-5-methyl-3-[(2-methylthiolan-2-yl)methyl]-2-thiophen-3-ylimidazolidin-4-one
CID 83268458
3-butan-2-yl-5-ethyl-5-methyl-2-thiophen-3-ylimidazolidin-4-one
CID 83239838
3-(2-ethoxyethyl)-5-ethyl-2-(3-fluorophenyl)-5-methylimidazolidin-4-one
CID 83233386

Frequently Asked Questions

What is the IUPAC name of 3-(2-butoxyethyl)-5-ethyl-5-methyl-2-thiophen-3-ylimidazolidin-4-one?
The IUPAC name of 3-(2-butoxyethyl)-5-ethyl-5-methyl-2-thiophen-3-ylimidazolidin-4-one (CID 83253506) is 3-(2-butoxyethyl)-5-ethyl-5-methyl-2-thiophen-3-ylimidazolidin-4-one.
What is the SMILES notation for 3-(2-butoxyethyl)-5-ethyl-5-methyl-2-thiophen-3-ylimidazolidin-4-one?
The canonical SMILES for 3-(2-butoxyethyl)-5-ethyl-5-methyl-2-thiophen-3-ylimidazolidin-4-one is CCCCOCCN1C(=O)C(C)(CC)NC1c1ccsc1.
What is the InChIKey of 3-(2-butoxyethyl)-5-ethyl-5-methyl-2-thiophen-3-ylimidazolidin-4-one?
The InChIKey is FQGZCLGXRCARIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2S/c1-4-6-9-20-10-8-18-14(13-7-11-21-12-13)17-16(3,5-2)15(18)19/h7,11-12,14,17H,4-6,8-10H2,1-3H3.
What are the key properties of 3-(2-butoxyethyl)-5-ethyl-5-methyl-2-thiophen-3-ylimidazolidin-4-one?
3-(2-butoxyethyl)-5-ethyl-5-methyl-2-thiophen-3-ylimidazolidin-4-one has a molecular weight of 310.46 g/mol, XLogP of 3.16, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-butoxyethyl)-5-ethyl-5-methyl-2-thiophen-3-ylimidazolidin-4-one is sourced from PubChem (CID 83253506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).