3-hexyl-5-methyl-2-(3-methylphenyl)imidazolidin-4-one

C17H26N2O — CID 83262813

IUPAC3-hexyl-5-methyl-2-(3-methylphenyl)imidazolidin-4-one
SMILESCCCCCCN1C(=O)C(C)NC1c1cccc(C)c1
InChIInChI=1S/C17H26N2O/c1-4-5-6-7-11-19-16(18-14(3)17(19)20)15-10-8-9-13(2)12-15/h8-10,12,14,16,18H,4-7,11H2,1-3H3
InChIKeyUBPUFPMEBGAHSA-UHFFFAOYSA-N
MW274.41 g/mol
LogP3.39
Rot. Bonds6

About 3-hexyl-5-methyl-2-(3-methylphenyl)imidazolidin-4-one

3-hexyl-5-methyl-2-(3-methylphenyl)imidazolidin-4-one (PubChem CID 83262813) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 3-hexyl-5-methyl-2-(3-methylphenyl)imidazolidin-4-one.

Molecular Properties

Compound Name3-hexyl-5-methyl-2-(3-methylphenyl)imidazolidin-4-one
PubChem CID83262813
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name3-hexyl-5-methyl-2-(3-methylphenyl)imidazolidin-4-one
SMILESCCCCCCN1C(=O)C(C)NC1c1cccc(C)c1
InChIInChI=1S/C17H26N2O/c1-4-5-6-7-11-19-16(18-14(3)17(19)20)15-10-8-9-13(2)12-15/h8-10,12,14,16,18H,4-7,11H2,1-3H3
InChIKeyUBPUFPMEBGAHSA-UHFFFAOYSA-N
XLogP3.39
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-methyl-3-pentyl-2-phenylimidazolidin-4-one
CID 83250974
3-[2-(dimethylamino)ethyl]-5-methyl-2-(3-methylphenyl)imidazolidin-4-one
CID 83250661
2-(2,5-dimethylphenyl)-5-methyl-3-pentylimidazolidin-4-one
CID 83250805
3,5-dimethyl-2-(3-methylphenyl)imidazolidin-4-one
CID 83259972
3-[2-(dimethylamino)propyl]-5-methyl-2-(3-methylphenyl)imidazolidin-4-one
CID 83249776
3-(cyclobutylmethyl)-5-methyl-2-(3-methylphenyl)imidazolidin-4-one
CID 83244061
2-(4-methoxyphenyl)-5-methyl-3-pentylimidazolidin-4-one
CID 83250631
5-methyl-2-(3-nitrophenyl)-3-propylimidazolidin-4-one
CID 115282118
5-methyl-3-pentyl-2-thiophen-2-ylimidazolidin-4-one
CID 83244038
3-(3-ethoxypropyl)-2-(3-methoxyphenyl)-5-methylimidazolidin-4-one
CID 83233721
3-butyl-2-(4-tert-butylphenyl)-5-methylimidazolidin-4-one
CID 83238348
2-(3-fluorophenyl)-5-methyl-3-(4,4,4-trifluorobutyl)imidazolidin-4-one
CID 83267017

Frequently Asked Questions

What is the IUPAC name of 3-hexyl-5-methyl-2-(3-methylphenyl)imidazolidin-4-one?
The IUPAC name of 3-hexyl-5-methyl-2-(3-methylphenyl)imidazolidin-4-one (CID 83262813) is 3-hexyl-5-methyl-2-(3-methylphenyl)imidazolidin-4-one.
What is the SMILES notation for 3-hexyl-5-methyl-2-(3-methylphenyl)imidazolidin-4-one?
The canonical SMILES for 3-hexyl-5-methyl-2-(3-methylphenyl)imidazolidin-4-one is CCCCCCN1C(=O)C(C)NC1c1cccc(C)c1.
What is the InChIKey of 3-hexyl-5-methyl-2-(3-methylphenyl)imidazolidin-4-one?
The InChIKey is UBPUFPMEBGAHSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-4-5-6-7-11-19-16(18-14(3)17(19)20)15-10-8-9-13(2)12-15/h8-10,12,14,16,18H,4-7,11H2,1-3H3.
What are the key properties of 3-hexyl-5-methyl-2-(3-methylphenyl)imidazolidin-4-one?
3-hexyl-5-methyl-2-(3-methylphenyl)imidazolidin-4-one has a molecular weight of 274.41 g/mol, XLogP of 3.39, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hexyl-5-methyl-2-(3-methylphenyl)imidazolidin-4-one is sourced from PubChem (CID 83262813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).