2-(2,5-dimethylphenyl)-5-methyl-3-pentylimidazolidin-4-one

C17H26N2O — CID 83250805

IUPAC2-(2,5-dimethylphenyl)-5-methyl-3-pentylimidazolidin-4-one
SMILESCCCCCN1C(=O)C(C)NC1c1cc(C)ccc1C
InChIInChI=1S/C17H26N2O/c1-5-6-7-10-19-16(18-14(4)17(19)20)15-11-12(2)8-9-13(15)3/h8-9,11,14,16,18H,5-7,10H2,1-4H3
InChIKeyGANFTVZEKRLVQC-UHFFFAOYSA-N
MW274.41 g/mol
LogP3.31
Rot. Bonds5

About 2-(2,5-dimethylphenyl)-5-methyl-3-pentylimidazolidin-4-one

2-(2,5-dimethylphenyl)-5-methyl-3-pentylimidazolidin-4-one (PubChem CID 83250805) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 2-(2,5-dimethylphenyl)-5-methyl-3-pentylimidazolidin-4-one.

Molecular Properties

Compound Name2-(2,5-dimethylphenyl)-5-methyl-3-pentylimidazolidin-4-one
PubChem CID83250805
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name2-(2,5-dimethylphenyl)-5-methyl-3-pentylimidazolidin-4-one
SMILESCCCCCN1C(=O)C(C)NC1c1cc(C)ccc1C
InChIInChI=1S/C17H26N2O/c1-5-6-7-10-19-16(18-14(4)17(19)20)15-11-12(2)8-9-13(15)3/h8-9,11,14,16,18H,5-7,10H2,1-4H3
InChIKeyGANFTVZEKRLVQC-UHFFFAOYSA-N
XLogP3.31
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 ≤ 53.31
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

2-(2,5-dimethylphenyl)-5-methyl-3-propylimidazolidin-4-one
CID 115282112
3-hexyl-5-methyl-2-(3-methylphenyl)imidazolidin-4-one
CID 83262813
5-methyl-3-pentyl-2-phenylimidazolidin-4-one
CID 83250974
2-(2,4-dimethylphenyl)-3-(2-ethoxyethyl)-5-methylimidazolidin-4-one
CID 83237112
2-(2,5-dimethylphenyl)-3-(3-methoxy-2-methylpropyl)-5-methylimidazolidin-4-one
CID 83252766
2-(2,5-dimethylphenyl)-5-(2-methylpropyl)-3-propylimidazolidin-4-one
CID 83246425
2-(2,5-dimethylphenyl)-3-(2-methylsulfanylethyl)-5-propylimidazolidin-4-one
CID 83263514
2-(4-methoxyphenyl)-5-methyl-3-pentylimidazolidin-4-one
CID 83250631
5-methyl-3-pentyl-2-thiophen-2-ylimidazolidin-4-one
CID 83244038
3-butyl-2-(2,4-dimethylphenyl)-5-propan-2-ylimidazolidin-4-one
CID 83237723
2-(2,5-dimethylphenyl)-5-ethyl-3-(2-methylsulfanylethyl)imidazolidin-4-one
CID 83257120
2-(2-methylphenyl)-3-pentyl-5-propylimidazolidin-4-one
CID 83246229

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylphenyl)-5-methyl-3-pentylimidazolidin-4-one?
The IUPAC name of 2-(2,5-dimethylphenyl)-5-methyl-3-pentylimidazolidin-4-one (CID 83250805) is 2-(2,5-dimethylphenyl)-5-methyl-3-pentylimidazolidin-4-one.
What is the SMILES notation for 2-(2,5-dimethylphenyl)-5-methyl-3-pentylimidazolidin-4-one?
The canonical SMILES for 2-(2,5-dimethylphenyl)-5-methyl-3-pentylimidazolidin-4-one is CCCCCN1C(=O)C(C)NC1c1cc(C)ccc1C.
What is the InChIKey of 2-(2,5-dimethylphenyl)-5-methyl-3-pentylimidazolidin-4-one?
The InChIKey is GANFTVZEKRLVQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-5-6-7-10-19-16(18-14(4)17(19)20)15-11-12(2)8-9-13(15)3/h8-9,11,14,16,18H,5-7,10H2,1-4H3.
What are the key properties of 2-(2,5-dimethylphenyl)-5-methyl-3-pentylimidazolidin-4-one?
2-(2,5-dimethylphenyl)-5-methyl-3-pentylimidazolidin-4-one has a molecular weight of 274.41 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylphenyl)-5-methyl-3-pentylimidazolidin-4-one is sourced from PubChem (CID 83250805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).