3-(6-methylheptan-2-yl)-2-(4-methylphenyl)imidazolidin-4-one

C18H28N2O — CID 83252329

IUPAC3-(6-methylheptan-2-yl)-2-(4-methylphenyl)imidazolidin-4-one
SMILESCc1ccc(C2NCC(=O)N2C(C)CCCC(C)C)cc1
InChIInChI=1S/C18H28N2O/c1-13(2)6-5-7-15(4)20-17(21)12-19-18(20)16-10-8-14(3)9-11-16/h8-11,13,15,18-19H,5-7,12H2,1-4H3
InChIKeyAAEUSPZQLSKJQT-UHFFFAOYSA-N
MW288.44 g/mol
LogP3.64
Rot. Bonds6

About 3-(6-methylheptan-2-yl)-2-(4-methylphenyl)imidazolidin-4-one

3-(6-methylheptan-2-yl)-2-(4-methylphenyl)imidazolidin-4-one (PubChem CID 83252329) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is 3-(6-methylheptan-2-yl)-2-(4-methylphenyl)imidazolidin-4-one.

Molecular Properties

Compound Name3-(6-methylheptan-2-yl)-2-(4-methylphenyl)imidazolidin-4-one
PubChem CID83252329
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC Name3-(6-methylheptan-2-yl)-2-(4-methylphenyl)imidazolidin-4-one
SMILESCc1ccc(C2NCC(=O)N2C(C)CCCC(C)C)cc1
InChIInChI=1S/C18H28N2O/c1-13(2)6-5-7-15(4)20-17(21)12-19-18(20)16-10-8-14(3)9-11-16/h8-11,13,15,18-19H,5-7,12H2,1-4H3
InChIKeyAAEUSPZQLSKJQT-UHFFFAOYSA-N
XLogP3.64
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 ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(1-cyclohexylethyl)-2-(4-methylphenyl)imidazolidin-4-one
CID 83249814
2-(4-chlorophenyl)-3-[1-(diethylamino)propan-2-yl]imidazolidin-4-one
CID 83252428
3-(4-methylpentyl)-2-(4-propan-2-ylphenyl)imidazolidin-4-one
CID 83262703
2-(2,5-dimethylphenyl)-3-(4-methylpentan-2-yl)imidazolidin-4-one
CID 83243602
2-(4-methoxyphenyl)-3-(1-methylsulfonylpropan-2-yl)imidazolidin-4-one
CID 83262833
3-[4-(dimethylamino)butan-2-yl]-2-thiophen-3-ylimidazolidin-4-one
CID 83249965
5-ethyl-3-hexan-2-yl-2-(4-methylphenyl)imidazolidin-4-one
CID 83252512
2-(4-fluorophenyl)-3-(3-methylpentan-2-yl)imidazolidin-4-one
CID 83246051
3-[1-(dimethylamino)propan-2-yl]-2-methylimidazolidin-4-one
CID 83260354
2-(4-chlorophenyl)-3-pentan-3-ylimidazolidin-4-one
CID 83242920
3-(3,3-dimethylbutan-2-yl)-2-(4-fluorophenyl)imidazolidin-4-one
CID 114983582
2-(4-methylphenyl)-3-(3-methylsulfanylpropyl)imidazolidin-4-one
CID 83257494

Frequently Asked Questions

What is the IUPAC name of 3-(6-methylheptan-2-yl)-2-(4-methylphenyl)imidazolidin-4-one?
The IUPAC name of 3-(6-methylheptan-2-yl)-2-(4-methylphenyl)imidazolidin-4-one (CID 83252329) is 3-(6-methylheptan-2-yl)-2-(4-methylphenyl)imidazolidin-4-one.
What is the SMILES notation for 3-(6-methylheptan-2-yl)-2-(4-methylphenyl)imidazolidin-4-one?
The canonical SMILES for 3-(6-methylheptan-2-yl)-2-(4-methylphenyl)imidazolidin-4-one is Cc1ccc(C2NCC(=O)N2C(C)CCCC(C)C)cc1.
What is the InChIKey of 3-(6-methylheptan-2-yl)-2-(4-methylphenyl)imidazolidin-4-one?
The InChIKey is AAEUSPZQLSKJQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-13(2)6-5-7-15(4)20-17(21)12-19-18(20)16-10-8-14(3)9-11-16/h8-11,13,15,18-19H,5-7,12H2,1-4H3.
What are the key properties of 3-(6-methylheptan-2-yl)-2-(4-methylphenyl)imidazolidin-4-one?
3-(6-methylheptan-2-yl)-2-(4-methylphenyl)imidazolidin-4-one has a molecular weight of 288.44 g/mol, XLogP of 3.64, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-methylheptan-2-yl)-2-(4-methylphenyl)imidazolidin-4-one is sourced from PubChem (CID 83252329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).