3-butan-2-yl-2-(4-ethylphenyl)-5-methylimidazolidin-4-one

C16H24N2O — CID 83239344

IUPAC3-butan-2-yl-2-(4-ethylphenyl)-5-methylimidazolidin-4-one
SMILESCCc1ccc(C2NC(C)C(=O)N2C(C)CC)cc1
InChIInChI=1S/C16H24N2O/c1-5-11(3)18-15(17-12(4)16(18)19)14-9-7-13(6-2)8-10-14/h7-12,15,17H,5-6H2,1-4H3
InChIKeyLOGJUCLKNSIFDE-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.87
Rot. Bonds4

About 3-butan-2-yl-2-(4-ethylphenyl)-5-methylimidazolidin-4-one

3-butan-2-yl-2-(4-ethylphenyl)-5-methylimidazolidin-4-one (PubChem CID 83239344) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 3-butan-2-yl-2-(4-ethylphenyl)-5-methylimidazolidin-4-one.

Molecular Properties

Compound Name3-butan-2-yl-2-(4-ethylphenyl)-5-methylimidazolidin-4-one
PubChem CID83239344
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name3-butan-2-yl-2-(4-ethylphenyl)-5-methylimidazolidin-4-one
SMILESCCc1ccc(C2NC(C)C(=O)N2C(C)CC)cc1
InChIInChI=1S/C16H24N2O/c1-5-11(3)18-15(17-12(4)16(18)19)14-9-7-13(6-2)8-10-14/h7-12,15,17H,5-6H2,1-4H3
InChIKeyLOGJUCLKNSIFDE-UHFFFAOYSA-N
XLogP2.87
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-butan-2-yl-2-(4-chlorophenyl)-5-methylimidazolidin-4-one
CID 83239935
2-(4-ethylphenyl)-5-methyl-3-(3-methylbutyl)imidazolidin-4-one
CID 83237437
5-methyl-2-(4-methylphenyl)-3-(1-methylsulfonylpropan-2-yl)imidazolidin-4-one
CID 83263978
2-(4-methoxyphenyl)-5-methyl-3-(3-methylpentan-2-yl)imidazolidin-4-one
CID 83245525
2-(4-ethylphenyl)-5-methyl-3-(2-methylsulfonylethyl)imidazolidin-4-one
CID 83246539
2-(4-ethylphenyl)-5-methyl-3-(3,3,3-trifluoropropyl)imidazolidin-4-one
CID 83248818
3-butan-2-yl-5-ethyl-2-(4-methylsulfanylphenyl)imidazolidin-4-one
CID 83238950
3-butan-2-yl-5-butyl-2-(4-fluorophenyl)imidazolidin-4-one
CID 83237076
5-methyl-3-(4-methylpentan-2-yl)-2-(3-methylphenyl)imidazolidin-4-one
CID 83243440
3-ethyl-5-methyl-2-(4-propan-2-ylphenyl)imidazolidin-4-one
CID 115282163
3-[4-(dimethylamino)butan-2-yl]-2-(3-fluorophenyl)-5-methylimidazolidin-4-one
CID 83253328
5-methyl-2-(4-propan-2-ylphenyl)-3-propylimidazolidin-4-one
CID 115282125

Frequently Asked Questions

What is the IUPAC name of 3-butan-2-yl-2-(4-ethylphenyl)-5-methylimidazolidin-4-one?
The IUPAC name of 3-butan-2-yl-2-(4-ethylphenyl)-5-methylimidazolidin-4-one (CID 83239344) is 3-butan-2-yl-2-(4-ethylphenyl)-5-methylimidazolidin-4-one.
What is the SMILES notation for 3-butan-2-yl-2-(4-ethylphenyl)-5-methylimidazolidin-4-one?
The canonical SMILES for 3-butan-2-yl-2-(4-ethylphenyl)-5-methylimidazolidin-4-one is CCc1ccc(C2NC(C)C(=O)N2C(C)CC)cc1.
What is the InChIKey of 3-butan-2-yl-2-(4-ethylphenyl)-5-methylimidazolidin-4-one?
The InChIKey is LOGJUCLKNSIFDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-5-11(3)18-15(17-12(4)16(18)19)14-9-7-13(6-2)8-10-14/h7-12,15,17H,5-6H2,1-4H3.
What are the key properties of 3-butan-2-yl-2-(4-ethylphenyl)-5-methylimidazolidin-4-one?
3-butan-2-yl-2-(4-ethylphenyl)-5-methylimidazolidin-4-one has a molecular weight of 260.38 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butan-2-yl-2-(4-ethylphenyl)-5-methylimidazolidin-4-one is sourced from PubChem (CID 83239344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).