3-(2,3-dimethylbutyl)-2-(2,4-dimethylphenyl)-5-methylimidazolidin-4-one

C18H28N2O — CID 83267178

IUPAC3-(2,3-dimethylbutyl)-2-(2,4-dimethylphenyl)-5-methylimidazolidin-4-one
SMILESCc1ccc(C2NC(C)C(=O)N2CC(C)C(C)C)c(C)c1
InChIInChI=1S/C18H28N2O/c1-11(2)14(5)10-20-17(19-15(6)18(20)21)16-8-7-12(3)9-13(16)4/h7-9,11,14-15,17,19H,10H2,1-6H3
InChIKeyXNVVSBFGOCGYSC-UHFFFAOYSA-N
MW288.44 g/mol
LogP3.41
Rot. Bonds4

About 3-(2,3-dimethylbutyl)-2-(2,4-dimethylphenyl)-5-methylimidazolidin-4-one

3-(2,3-dimethylbutyl)-2-(2,4-dimethylphenyl)-5-methylimidazolidin-4-one (PubChem CID 83267178) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is 3-(2,3-dimethylbutyl)-2-(2,4-dimethylphenyl)-5-methylimidazolidin-4-one.

Molecular Properties

Compound Name3-(2,3-dimethylbutyl)-2-(2,4-dimethylphenyl)-5-methylimidazolidin-4-one
PubChem CID83267178
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC Name3-(2,3-dimethylbutyl)-2-(2,4-dimethylphenyl)-5-methylimidazolidin-4-one
SMILESCc1ccc(C2NC(C)C(=O)N2CC(C)C(C)C)c(C)c1
InChIInChI=1S/C18H28N2O/c1-11(2)14(5)10-20-17(19-15(6)18(20)21)16-8-7-12(3)9-13(16)4/h7-9,11,14-15,17,19H,10H2,1-6H3
InChIKeyXNVVSBFGOCGYSC-UHFFFAOYSA-N
XLogP3.41
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(cyclobutylmethyl)-2-(2,4-dimethylphenyl)-5-methylimidazolidin-4-one
CID 83243422
2-(2,4-dimethylphenyl)-3-(2-methoxy-2-methylpropyl)-5-methylimidazolidin-4-one
CID 114983347
2-(2,4-dimethylphenyl)-3-(2-ethoxyethyl)-5-methylimidazolidin-4-one
CID 83237112
2-(2,5-dimethylphenyl)-3-(3-methoxy-2-methylpropyl)-5-methylimidazolidin-4-one
CID 83252766
2-(2,5-dimethylphenyl)-5-methyl-3-propylimidazolidin-4-one
CID 115282112
3-(2,3-dimethylbutyl)-5-ethyl-2-(2-methylphenyl)imidazolidin-4-one
CID 83266949
3-[2-(dimethylamino)propyl]-5-methyl-2-(3-methylphenyl)imidazolidin-4-one
CID 83249776
3-butyl-2-(2,4-dimethylphenyl)-5-propan-2-ylimidazolidin-4-one
CID 83237723
2-(2,5-dimethylphenyl)-5-methyl-3-pentylimidazolidin-4-one
CID 83250805
2-(2,4-dimethylphenyl)-5-ethyl-3-propylimidazolidin-4-one
CID 83242775
3-(2,3-dimethylbutyl)-5-methyl-2-(2-methylpropyl)imidazolidin-4-one
CID 83258725
3-[2-(dimethylamino)propyl]-2-(2,4-dimethylphenyl)imidazolidin-4-one
CID 83249995

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dimethylbutyl)-2-(2,4-dimethylphenyl)-5-methylimidazolidin-4-one?
The IUPAC name of 3-(2,3-dimethylbutyl)-2-(2,4-dimethylphenyl)-5-methylimidazolidin-4-one (CID 83267178) is 3-(2,3-dimethylbutyl)-2-(2,4-dimethylphenyl)-5-methylimidazolidin-4-one.
What is the SMILES notation for 3-(2,3-dimethylbutyl)-2-(2,4-dimethylphenyl)-5-methylimidazolidin-4-one?
The canonical SMILES for 3-(2,3-dimethylbutyl)-2-(2,4-dimethylphenyl)-5-methylimidazolidin-4-one is Cc1ccc(C2NC(C)C(=O)N2CC(C)C(C)C)c(C)c1.
What is the InChIKey of 3-(2,3-dimethylbutyl)-2-(2,4-dimethylphenyl)-5-methylimidazolidin-4-one?
The InChIKey is XNVVSBFGOCGYSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-11(2)14(5)10-20-17(19-15(6)18(20)21)16-8-7-12(3)9-13(16)4/h7-9,11,14-15,17,19H,10H2,1-6H3.
What are the key properties of 3-(2,3-dimethylbutyl)-2-(2,4-dimethylphenyl)-5-methylimidazolidin-4-one?
3-(2,3-dimethylbutyl)-2-(2,4-dimethylphenyl)-5-methylimidazolidin-4-one has a molecular weight of 288.44 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dimethylbutyl)-2-(2,4-dimethylphenyl)-5-methylimidazolidin-4-one is sourced from PubChem (CID 83267178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).