3-(2,3-dimethylbutyl)-5-ethyl-2-(2-methylphenyl)imidazolidin-4-one

C18H28N2O — CID 83266949

IUPAC3-(2,3-dimethylbutyl)-5-ethyl-2-(2-methylphenyl)imidazolidin-4-one
SMILESCCC1NC(c2ccccc2C)N(CC(C)C(C)C)C1=O
InChIInChI=1S/C18H28N2O/c1-6-16-18(21)20(11-14(5)12(2)3)17(19-16)15-10-8-7-9-13(15)4/h7-10,12,14,16-17,19H,6,11H2,1-5H3
InChIKeyFCAAFMBJWSYMLZ-UHFFFAOYSA-N
MW288.44 g/mol
LogP3.50
Rot. Bonds5

About 3-(2,3-dimethylbutyl)-5-ethyl-2-(2-methylphenyl)imidazolidin-4-one

3-(2,3-dimethylbutyl)-5-ethyl-2-(2-methylphenyl)imidazolidin-4-one (PubChem CID 83266949) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is 3-(2,3-dimethylbutyl)-5-ethyl-2-(2-methylphenyl)imidazolidin-4-one.

Molecular Properties

Compound Name3-(2,3-dimethylbutyl)-5-ethyl-2-(2-methylphenyl)imidazolidin-4-one
PubChem CID83266949
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC Name3-(2,3-dimethylbutyl)-5-ethyl-2-(2-methylphenyl)imidazolidin-4-one
SMILESCCC1NC(c2ccccc2C)N(CC(C)C(C)C)C1=O
InChIInChI=1S/C18H28N2O/c1-6-16-18(21)20(11-14(5)12(2)3)17(19-16)15-10-8-7-9-13(15)4/h7-10,12,14,16-17,19H,6,11H2,1-5H3
InChIKeyFCAAFMBJWSYMLZ-UHFFFAOYSA-N
XLogP3.50
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 ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2,3-dimethylbutyl)-5-ethyl-2-(2-fluorophenyl)imidazolidin-4-one
CID 83266956
3,5-diethyl-2-(2-methylphenyl)imidazolidin-4-one
CID 83239063
3-(2-cyclopropylethyl)-5-ethyl-2-(2-methylphenyl)imidazolidin-4-one
CID 83258610
5-ethyl-2-(2-methylphenyl)-3-(2,2,2-trifluoroethyl)imidazolidin-4-one
CID 83251359
5-ethyl-3-methyl-2-(2-methylphenyl)imidazolidin-4-one
CID 83259790
5-ethyl-2-(2-fluorophenyl)-3-(2-methylpropyl)imidazolidin-4-one
CID 83242658
3-(cyclopropylmethyl)-2-(2-methylphenyl)-5-(2-methylpropyl)imidazolidin-4-one
CID 83247754
3-cyclohexyl-5-ethyl-2-(2-methylphenyl)imidazolidin-4-one
CID 83246717
3-(2,3-dimethylbutyl)-2-(2,4-dimethylphenyl)-5-methylimidazolidin-4-one
CID 83267178
2-(2-methylphenyl)-3-pentyl-5-propylimidazolidin-4-one
CID 83246229
3-(2-methoxyethyl)-2-(2-methylphenyl)-5-(2-methylpropyl)imidazolidin-4-one
CID 83247251
3-butyl-2-(2-methylphenyl)-5-propan-2-ylimidazolidin-4-one
CID 83236786

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dimethylbutyl)-5-ethyl-2-(2-methylphenyl)imidazolidin-4-one?
The IUPAC name of 3-(2,3-dimethylbutyl)-5-ethyl-2-(2-methylphenyl)imidazolidin-4-one (CID 83266949) is 3-(2,3-dimethylbutyl)-5-ethyl-2-(2-methylphenyl)imidazolidin-4-one.
What is the SMILES notation for 3-(2,3-dimethylbutyl)-5-ethyl-2-(2-methylphenyl)imidazolidin-4-one?
The canonical SMILES for 3-(2,3-dimethylbutyl)-5-ethyl-2-(2-methylphenyl)imidazolidin-4-one is CCC1NC(c2ccccc2C)N(CC(C)C(C)C)C1=O.
What is the InChIKey of 3-(2,3-dimethylbutyl)-5-ethyl-2-(2-methylphenyl)imidazolidin-4-one?
The InChIKey is FCAAFMBJWSYMLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-6-16-18(21)20(11-14(5)12(2)3)17(19-16)15-10-8-7-9-13(15)4/h7-10,12,14,16-17,19H,6,11H2,1-5H3.
What are the key properties of 3-(2,3-dimethylbutyl)-5-ethyl-2-(2-methylphenyl)imidazolidin-4-one?
3-(2,3-dimethylbutyl)-5-ethyl-2-(2-methylphenyl)imidazolidin-4-one has a molecular weight of 288.44 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dimethylbutyl)-5-ethyl-2-(2-methylphenyl)imidazolidin-4-one is sourced from PubChem (CID 83266949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).