2-(2,4-dimethylphenyl)-5-ethyl-3,5-dimethylimidazolidin-4-one

C15H22N2O — CID 83259966

IUPAC2-(2,4-dimethylphenyl)-5-ethyl-3,5-dimethylimidazolidin-4-one
SMILESCCC1(C)NC(c2ccc(C)cc2C)N(C)C1=O
InChIInChI=1S/C15H22N2O/c1-6-15(4)14(18)17(5)13(16-15)12-8-7-10(2)9-11(12)3/h7-9,13,16H,6H2,1-5H3
InChIKeyQHWJWLLMUOVWNL-UHFFFAOYSA-N
MW246.35 g/mol
LogP2.53
Rot. Bonds2

About 2-(2,4-dimethylphenyl)-5-ethyl-3,5-dimethylimidazolidin-4-one

2-(2,4-dimethylphenyl)-5-ethyl-3,5-dimethylimidazolidin-4-one (PubChem CID 83259966) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 2-(2,4-dimethylphenyl)-5-ethyl-3,5-dimethylimidazolidin-4-one.

Molecular Properties

Compound Name2-(2,4-dimethylphenyl)-5-ethyl-3,5-dimethylimidazolidin-4-one
PubChem CID83259966
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name2-(2,4-dimethylphenyl)-5-ethyl-3,5-dimethylimidazolidin-4-one
SMILESCCC1(C)NC(c2ccc(C)cc2C)N(C)C1=O
InChIInChI=1S/C15H22N2O/c1-6-15(4)14(18)17(5)13(16-15)12-8-7-10(2)9-11(12)3/h7-9,13,16H,6H2,1-5H3
InChIKeyQHWJWLLMUOVWNL-UHFFFAOYSA-N
XLogP2.53
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylphenyl)-5-ethyl-3,5-dimethylimidazolidin-4-one?
The IUPAC name of 2-(2,4-dimethylphenyl)-5-ethyl-3,5-dimethylimidazolidin-4-one (CID 83259966) is 2-(2,4-dimethylphenyl)-5-ethyl-3,5-dimethylimidazolidin-4-one.
What is the SMILES notation for 2-(2,4-dimethylphenyl)-5-ethyl-3,5-dimethylimidazolidin-4-one?
The canonical SMILES for 2-(2,4-dimethylphenyl)-5-ethyl-3,5-dimethylimidazolidin-4-one is CCC1(C)NC(c2ccc(C)cc2C)N(C)C1=O.
What is the InChIKey of 2-(2,4-dimethylphenyl)-5-ethyl-3,5-dimethylimidazolidin-4-one?
The InChIKey is QHWJWLLMUOVWNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-6-15(4)14(18)17(5)13(16-15)12-8-7-10(2)9-11(12)3/h7-9,13,16H,6H2,1-5H3.
What are the key properties of 2-(2,4-dimethylphenyl)-5-ethyl-3,5-dimethylimidazolidin-4-one?
2-(2,4-dimethylphenyl)-5-ethyl-3,5-dimethylimidazolidin-4-one has a molecular weight of 246.35 g/mol, XLogP of 2.53, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethylphenyl)-5-ethyl-3,5-dimethylimidazolidin-4-one is sourced from PubChem (CID 83259966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).