5-ethyl-3-(5-methylhexan-2-yl)-2-phenylimidazolidin-4-one

C18H28N2O — CID 83263251

IUPAC5-ethyl-3-(5-methylhexan-2-yl)-2-phenylimidazolidin-4-one
SMILESCCC1NC(c2ccccc2)N(C(C)CCC(C)C)C1=O
InChIInChI=1S/C18H28N2O/c1-5-16-18(21)20(14(4)12-11-13(2)3)17(19-16)15-9-7-6-8-10-15/h6-10,13-14,16-17,19H,5,11-12H2,1-4H3
InChIKeySXUAMYZUFFAQPK-UHFFFAOYSA-N
MW288.44 g/mol
LogP3.72
Rot. Bonds6

About 5-ethyl-3-(5-methylhexan-2-yl)-2-phenylimidazolidin-4-one

5-ethyl-3-(5-methylhexan-2-yl)-2-phenylimidazolidin-4-one (PubChem CID 83263251) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is 5-ethyl-3-(5-methylhexan-2-yl)-2-phenylimidazolidin-4-one.

Molecular Properties

Compound Name5-ethyl-3-(5-methylhexan-2-yl)-2-phenylimidazolidin-4-one
PubChem CID83263251
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC Name5-ethyl-3-(5-methylhexan-2-yl)-2-phenylimidazolidin-4-one
SMILESCCC1NC(c2ccccc2)N(C(C)CCC(C)C)C1=O
InChIInChI=1S/C18H28N2O/c1-5-16-18(21)20(14(4)12-11-13(2)3)17(19-16)15-9-7-6-8-10-15/h6-10,13-14,16-17,19H,5,11-12H2,1-4H3
InChIKeySXUAMYZUFFAQPK-UHFFFAOYSA-N
XLogP3.72
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-pentan-2-yl-2-phenyl-5-propylimidazolidin-4-one
CID 83239646
5-ethyl-3-hexan-2-yl-2-(4-methylphenyl)imidazolidin-4-one
CID 83252512
5-ethyl-3-(4-methylpentan-2-yl)-2-(3-methylphenyl)imidazolidin-4-one
CID 83248284
2-(3-chlorophenyl)-5-ethyl-3-hexan-2-ylimidazolidin-4-one
CID 83252025
5-ethyl-3-pentan-2-yl-2-thiophen-3-ylimidazolidin-4-one
CID 83240083
3-butan-2-yl-5-ethyl-2-(4-methylsulfanylphenyl)imidazolidin-4-one
CID 83238950
3-(1-ethoxypropan-2-yl)-5-ethyl-2-(4-methylphenyl)imidazolidin-4-one
CID 83244890
5-ethyl-3-hexan-2-yl-2-thiophen-3-ylimidazolidin-4-one
CID 83252367
5-butyl-3-(1-methoxypropan-2-yl)-2-phenylimidazolidin-4-one
CID 83237900
2-(4-chlorophenyl)-3-(1-ethoxypropan-2-yl)-5-ethylimidazolidin-4-one
CID 83245870
2-cyclopentyl-5-ethyl-3-(5-methylhexan-2-yl)imidazolidin-4-one
CID 83263418
3-(4-methylpentan-2-yl)-2-phenyl-5-propan-2-ylimidazolidin-4-one
CID 83248068

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-3-(5-methylhexan-2-yl)-2-phenylimidazolidin-4-one?
The IUPAC name of 5-ethyl-3-(5-methylhexan-2-yl)-2-phenylimidazolidin-4-one (CID 83263251) is 5-ethyl-3-(5-methylhexan-2-yl)-2-phenylimidazolidin-4-one.
What is the SMILES notation for 5-ethyl-3-(5-methylhexan-2-yl)-2-phenylimidazolidin-4-one?
The canonical SMILES for 5-ethyl-3-(5-methylhexan-2-yl)-2-phenylimidazolidin-4-one is CCC1NC(c2ccccc2)N(C(C)CCC(C)C)C1=O.
What is the InChIKey of 5-ethyl-3-(5-methylhexan-2-yl)-2-phenylimidazolidin-4-one?
The InChIKey is SXUAMYZUFFAQPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-5-16-18(21)20(14(4)12-11-13(2)3)17(19-16)15-9-7-6-8-10-15/h6-10,13-14,16-17,19H,5,11-12H2,1-4H3.
What are the key properties of 5-ethyl-3-(5-methylhexan-2-yl)-2-phenylimidazolidin-4-one?
5-ethyl-3-(5-methylhexan-2-yl)-2-phenylimidazolidin-4-one has a molecular weight of 288.44 g/mol, XLogP of 3.72, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-3-(5-methylhexan-2-yl)-2-phenylimidazolidin-4-one is sourced from PubChem (CID 83263251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).