3-butyl-2-(2,4-dimethylphenyl)-5-propan-2-ylimidazolidin-4-one

C18H28N2O — CID 83237723

IUPAC3-butyl-2-(2,4-dimethylphenyl)-5-propan-2-ylimidazolidin-4-one
SMILESCCCCN1C(=O)C(C(C)C)NC1c1ccc(C)cc1C
InChIInChI=1S/C18H28N2O/c1-6-7-10-20-17(19-16(12(2)3)18(20)21)15-9-8-13(4)11-14(15)5/h8-9,11-12,16-17,19H,6-7,10H2,1-5H3
InChIKeyGOSCPYPRMIIXLD-UHFFFAOYSA-N
MW288.44 g/mol
LogP3.56
Rot. Bonds5

About 3-butyl-2-(2,4-dimethylphenyl)-5-propan-2-ylimidazolidin-4-one

3-butyl-2-(2,4-dimethylphenyl)-5-propan-2-ylimidazolidin-4-one (PubChem CID 83237723) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is 3-butyl-2-(2,4-dimethylphenyl)-5-propan-2-ylimidazolidin-4-one.

Molecular Properties

Compound Name3-butyl-2-(2,4-dimethylphenyl)-5-propan-2-ylimidazolidin-4-one
PubChem CID83237723
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC Name3-butyl-2-(2,4-dimethylphenyl)-5-propan-2-ylimidazolidin-4-one
SMILESCCCCN1C(=O)C(C(C)C)NC1c1ccc(C)cc1C
InChIInChI=1S/C18H28N2O/c1-6-7-10-20-17(19-16(12(2)3)18(20)21)15-9-8-13(4)11-14(15)5/h8-9,11-12,16-17,19H,6-7,10H2,1-5H3
InChIKeyGOSCPYPRMIIXLD-UHFFFAOYSA-N
XLogP3.56
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-butyl-2-(2-methylphenyl)-5-propan-2-ylimidazolidin-4-one
CID 83236786
2-(2,4-dimethylphenyl)-5-ethyl-3-propylimidazolidin-4-one
CID 83242775
2-(2,4-dimethylphenyl)-5-ethyl-3-(3-methylsulfanylpropyl)imidazolidin-4-one
CID 83264334
2-(2,5-dimethylphenyl)-5-methyl-3-pentylimidazolidin-4-one
CID 83250805
3-butyl-2,5-di(propan-2-yl)imidazolidin-4-one
CID 83238523
3-(3-methoxypropyl)-2-(4-methylphenyl)-5-propan-2-ylimidazolidin-4-one
CID 83246477
2-(2,4-dimethylphenyl)-3-(2-ethoxyethyl)-5-methylimidazolidin-4-one
CID 83237112
3-(2,3-dimethylbutyl)-2-(2,4-dimethylphenyl)-5-methylimidazolidin-4-one
CID 83267178
2-(3-fluorophenyl)-5-propan-2-yl-3-propylimidazolidin-4-one
CID 83242425
2-(2,4-difluorophenyl)-3-ethyl-5-propan-2-ylimidazolidin-4-one
CID 83239865
2-(2,5-dimethylphenyl)-5-(2-methylpropyl)-3-propylimidazolidin-4-one
CID 83246425
2-(2,5-dimethylphenyl)-5-methyl-3-propylimidazolidin-4-one
CID 115282112

Frequently Asked Questions

What is the IUPAC name of 3-butyl-2-(2,4-dimethylphenyl)-5-propan-2-ylimidazolidin-4-one?
The IUPAC name of 3-butyl-2-(2,4-dimethylphenyl)-5-propan-2-ylimidazolidin-4-one (CID 83237723) is 3-butyl-2-(2,4-dimethylphenyl)-5-propan-2-ylimidazolidin-4-one.
What is the SMILES notation for 3-butyl-2-(2,4-dimethylphenyl)-5-propan-2-ylimidazolidin-4-one?
The canonical SMILES for 3-butyl-2-(2,4-dimethylphenyl)-5-propan-2-ylimidazolidin-4-one is CCCCN1C(=O)C(C(C)C)NC1c1ccc(C)cc1C.
What is the InChIKey of 3-butyl-2-(2,4-dimethylphenyl)-5-propan-2-ylimidazolidin-4-one?
The InChIKey is GOSCPYPRMIIXLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-6-7-10-20-17(19-16(12(2)3)18(20)21)15-9-8-13(4)11-14(15)5/h8-9,11-12,16-17,19H,6-7,10H2,1-5H3.
What are the key properties of 3-butyl-2-(2,4-dimethylphenyl)-5-propan-2-ylimidazolidin-4-one?
3-butyl-2-(2,4-dimethylphenyl)-5-propan-2-ylimidazolidin-4-one has a molecular weight of 288.44 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-2-(2,4-dimethylphenyl)-5-propan-2-ylimidazolidin-4-one is sourced from PubChem (CID 83237723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).