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

C13H17ClN2O — CID 83260669

IUPAC2-(4-chlorophenyl)-5-ethyl-3,5-dimethylimidazolidin-4-one
SMILESCCC1(C)NC(c2ccc(Cl)cc2)N(C)C1=O
InChIInChI=1S/C13H17ClN2O/c1-4-13(2)12(17)16(3)11(15-13)9-5-7-10(14)8-6-9/h5-8,11,15H,4H2,1-3H3
InChIKeyPRUBFHYLGONNPZ-UHFFFAOYSA-N
MW252.74 g/mol
LogP2.57
Rot. Bonds2

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

2-(4-chlorophenyl)-5-ethyl-3,5-dimethylimidazolidin-4-one (PubChem CID 83260669) has the molecular formula C13H17ClN2O and a molecular weight of 252.74 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-5-ethyl-3,5-dimethylimidazolidin-4-one.

Molecular Properties

Compound Name2-(4-chlorophenyl)-5-ethyl-3,5-dimethylimidazolidin-4-one
PubChem CID83260669
Molecular FormulaC13H17ClN2O
Molecular Weight252.74 g/mol
Exact Mass252.10
IUPAC Name2-(4-chlorophenyl)-5-ethyl-3,5-dimethylimidazolidin-4-one
SMILESCCC1(C)NC(c2ccc(Cl)cc2)N(C)C1=O
InChIInChI=1S/C13H17ClN2O/c1-4-13(2)12(17)16(3)11(15-13)9-5-7-10(14)8-6-9/h5-8,11,15H,4H2,1-3H3
InChIKeyPRUBFHYLGONNPZ-UHFFFAOYSA-N
XLogP2.57
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.74
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-ethyl-2-(4-methoxyphenyl)-3,5-dimethylimidazolidin-4-one
CID 83261732
5-ethyl-3,5-dimethyl-2-(4-methylsulfanylphenyl)imidazolidin-4-one
CID 83261202
2-(4-chlorophenyl)-5-ethyl-5-methyl-3-(2-methylsulfanylethyl)imidazolidin-4-one
CID 83256949
2-(4-chlorophenyl)-3-(2-ethoxyethyl)-5-ethyl-5-methylimidazolidin-4-one
CID 83232560
5-ethyl-3,5-dimethyl-2-(3-methylphenyl)imidazolidin-4-one
CID 83260407
2-(2,4-dimethylphenyl)-5-ethyl-3,5-dimethylimidazolidin-4-one
CID 83259966
3,5-diethyl-2-(4-fluorophenyl)-5-methylimidazolidin-4-one
CID 83238688
5-ethyl-2-(4-fluorophenyl)-5-methyl-3-(3-methylbutan-2-yl)imidazolidin-4-one
CID 83248492
3,5-diethyl-5-methyl-2-[4-(trifluoromethyl)phenyl]imidazolidin-4-one
CID 83238790
2-(4-chlorophenyl)-3-(2-ethoxyethyl)-5-methylimidazolidin-4-one
CID 83236742
5-(4-chlorophenyl)-6-[2-[ethyl(methyl)amino]ethyl]-4,6-diazaspiro[2.4]heptan-7-one
CID 83253608
2-(3-chlorophenyl)-5-ethyl-5-methyl-3-pentan-2-ylimidazolidin-4-one
CID 83238166

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-5-ethyl-3,5-dimethylimidazolidin-4-one?
The IUPAC name of 2-(4-chlorophenyl)-5-ethyl-3,5-dimethylimidazolidin-4-one (CID 83260669) is 2-(4-chlorophenyl)-5-ethyl-3,5-dimethylimidazolidin-4-one.
What is the SMILES notation for 2-(4-chlorophenyl)-5-ethyl-3,5-dimethylimidazolidin-4-one?
The canonical SMILES for 2-(4-chlorophenyl)-5-ethyl-3,5-dimethylimidazolidin-4-one is CCC1(C)NC(c2ccc(Cl)cc2)N(C)C1=O.
What is the InChIKey of 2-(4-chlorophenyl)-5-ethyl-3,5-dimethylimidazolidin-4-one?
The InChIKey is PRUBFHYLGONNPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O/c1-4-13(2)12(17)16(3)11(15-13)9-5-7-10(14)8-6-9/h5-8,11,15H,4H2,1-3H3.
What are the key properties of 2-(4-chlorophenyl)-5-ethyl-3,5-dimethylimidazolidin-4-one?
2-(4-chlorophenyl)-5-ethyl-3,5-dimethylimidazolidin-4-one has a molecular weight of 252.74 g/mol, XLogP of 2.57, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-5-ethyl-3,5-dimethylimidazolidin-4-one is sourced from PubChem (CID 83260669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).