2-(4-ethylphenyl)-5-methyl-3-(3-methylbutyl)imidazolidin-4-one

C17H26N2O — CID 83237437

IUPAC2-(4-ethylphenyl)-5-methyl-3-(3-methylbutyl)imidazolidin-4-one
SMILESCCc1ccc(C2NC(C)C(=O)N2CCC(C)C)cc1
InChIInChI=1S/C17H26N2O/c1-5-14-6-8-15(9-7-14)16-18-13(4)17(20)19(16)11-10-12(2)3/h6-9,12-13,16,18H,5,10-11H2,1-4H3
InChIKeyCHHIHIPYZWOMCY-UHFFFAOYSA-N
MW274.41 g/mol
LogP3.11
Rot. Bonds5

About 2-(4-ethylphenyl)-5-methyl-3-(3-methylbutyl)imidazolidin-4-one

2-(4-ethylphenyl)-5-methyl-3-(3-methylbutyl)imidazolidin-4-one (PubChem CID 83237437) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 2-(4-ethylphenyl)-5-methyl-3-(3-methylbutyl)imidazolidin-4-one.

Molecular Properties

Compound Name2-(4-ethylphenyl)-5-methyl-3-(3-methylbutyl)imidazolidin-4-one
PubChem CID83237437
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name2-(4-ethylphenyl)-5-methyl-3-(3-methylbutyl)imidazolidin-4-one
SMILESCCc1ccc(C2NC(C)C(=O)N2CCC(C)C)cc1
InChIInChI=1S/C17H26N2O/c1-5-14-6-8-15(9-7-14)16-18-13(4)17(20)19(16)11-10-12(2)3/h6-9,12-13,16,18H,5,10-11H2,1-4H3
InChIKeyCHHIHIPYZWOMCY-UHFFFAOYSA-N
XLogP3.11
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylphenyl)-5-methyl-3-(3-methylbutyl)imidazolidin-4-one?
The IUPAC name of 2-(4-ethylphenyl)-5-methyl-3-(3-methylbutyl)imidazolidin-4-one (CID 83237437) is 2-(4-ethylphenyl)-5-methyl-3-(3-methylbutyl)imidazolidin-4-one.
What is the SMILES notation for 2-(4-ethylphenyl)-5-methyl-3-(3-methylbutyl)imidazolidin-4-one?
The canonical SMILES for 2-(4-ethylphenyl)-5-methyl-3-(3-methylbutyl)imidazolidin-4-one is CCc1ccc(C2NC(C)C(=O)N2CCC(C)C)cc1.
What is the InChIKey of 2-(4-ethylphenyl)-5-methyl-3-(3-methylbutyl)imidazolidin-4-one?
The InChIKey is CHHIHIPYZWOMCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-5-14-6-8-15(9-7-14)16-18-13(4)17(20)19(16)11-10-12(2)3/h6-9,12-13,16,18H,5,10-11H2,1-4H3.
What are the key properties of 2-(4-ethylphenyl)-5-methyl-3-(3-methylbutyl)imidazolidin-4-one?
2-(4-ethylphenyl)-5-methyl-3-(3-methylbutyl)imidazolidin-4-one has a molecular weight of 274.41 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylphenyl)-5-methyl-3-(3-methylbutyl)imidazolidin-4-one is sourced from PubChem (CID 83237437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).