3-(2-butoxyethyl)-2-(2,4-dimethylphenyl)imidazolidin-4-one

C17H26N2O2 — CID 83252968

IUPAC3-(2-butoxyethyl)-2-(2,4-dimethylphenyl)imidazolidin-4-one
SMILESCCCCOCCN1C(=O)CNC1c1ccc(C)cc1C
InChIInChI=1S/C17H26N2O2/c1-4-5-9-21-10-8-19-16(20)12-18-17(19)15-7-6-13(2)11-14(15)3/h6-7,11,17-18H,4-5,8-10,12H2,1-3H3
InChIKeyJQSLIGHHQOOQAF-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.55
Rot. Bonds7

About 3-(2-butoxyethyl)-2-(2,4-dimethylphenyl)imidazolidin-4-one

3-(2-butoxyethyl)-2-(2,4-dimethylphenyl)imidazolidin-4-one (PubChem CID 83252968) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 3-(2-butoxyethyl)-2-(2,4-dimethylphenyl)imidazolidin-4-one.

Molecular Properties

Compound Name3-(2-butoxyethyl)-2-(2,4-dimethylphenyl)imidazolidin-4-one
PubChem CID83252968
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name3-(2-butoxyethyl)-2-(2,4-dimethylphenyl)imidazolidin-4-one
SMILESCCCCOCCN1C(=O)CNC1c1ccc(C)cc1C
InChIInChI=1S/C17H26N2O2/c1-4-5-9-21-10-8-19-16(20)12-18-17(19)15-7-6-13(2)11-14(15)3/h6-7,11,17-18H,4-5,8-10,12H2,1-3H3
InChIKeyJQSLIGHHQOOQAF-UHFFFAOYSA-N
XLogP2.55
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(2-butoxyethyl)-2-(4-methylphenyl)imidazolidin-4-one
CID 83253672
2-(2,5-dimethylphenyl)-3-(3-propoxypropyl)imidazolidin-4-one
CID 83269616
3-(2-cyclopentylethyl)-2-(2,4-dimethylphenyl)imidazolidin-4-one
CID 83246005
3-[2-(dimethylamino)ethyl]-2-(2,4-dimethylphenyl)imidazolidin-4-one
CID 83251335
methyl 3-[2-(2,4-dimethylphenyl)-5-oxoimidazolidin-1-yl]propanoate
CID 83255760
2-(2,5-dimethylphenyl)-3-propylimidazolidin-4-one
CID 115282074
2-(2,4-dimethylphenyl)-3-[(1-methylpyrrolidin-3-yl)methyl]imidazolidin-4-one
CID 83245513
3-[2-(dimethylamino)propyl]-2-(2,4-dimethylphenyl)imidazolidin-4-one
CID 83249995
3-(2-butoxyethyl)-2-methylimidazolidin-4-one
CID 83254187
3-(2-ethoxyethyl)-2-(4-methylphenyl)imidazolidin-4-one
CID 83238354
3-butyl-2-(2,4-difluorophenyl)imidazolidin-4-one
CID 83238048
2-(2,5-dimethylphenyl)-3-ethylimidazolidin-4-one
CID 115282036

Frequently Asked Questions

What is the IUPAC name of 3-(2-butoxyethyl)-2-(2,4-dimethylphenyl)imidazolidin-4-one?
The IUPAC name of 3-(2-butoxyethyl)-2-(2,4-dimethylphenyl)imidazolidin-4-one (CID 83252968) is 3-(2-butoxyethyl)-2-(2,4-dimethylphenyl)imidazolidin-4-one.
What is the SMILES notation for 3-(2-butoxyethyl)-2-(2,4-dimethylphenyl)imidazolidin-4-one?
The canonical SMILES for 3-(2-butoxyethyl)-2-(2,4-dimethylphenyl)imidazolidin-4-one is CCCCOCCN1C(=O)CNC1c1ccc(C)cc1C.
What is the InChIKey of 3-(2-butoxyethyl)-2-(2,4-dimethylphenyl)imidazolidin-4-one?
The InChIKey is JQSLIGHHQOOQAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-4-5-9-21-10-8-19-16(20)12-18-17(19)15-7-6-13(2)11-14(15)3/h6-7,11,17-18H,4-5,8-10,12H2,1-3H3.
What are the key properties of 3-(2-butoxyethyl)-2-(2,4-dimethylphenyl)imidazolidin-4-one?
3-(2-butoxyethyl)-2-(2,4-dimethylphenyl)imidazolidin-4-one has a molecular weight of 290.41 g/mol, XLogP of 2.55, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-butoxyethyl)-2-(2,4-dimethylphenyl)imidazolidin-4-one is sourced from PubChem (CID 83252968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).