2-(2,5-dimethylphenyl)-3-hexan-3-ylimidazolidin-4-one

C17H26N2O — CID 83252372

IUPAC2-(2,5-dimethylphenyl)-3-hexan-3-ylimidazolidin-4-one
SMILESCCCC(CC)N1C(=O)CNC1c1cc(C)ccc1C
InChIInChI=1S/C17H26N2O/c1-5-7-14(6-2)19-16(20)11-18-17(19)15-10-12(3)8-9-13(15)4/h8-10,14,17-18H,5-7,11H2,1-4H3
InChIKeyYBFIXEAXFCZRPH-UHFFFAOYSA-N
MW274.41 g/mol
LogP3.31
Rot. Bonds5

About 2-(2,5-dimethylphenyl)-3-hexan-3-ylimidazolidin-4-one

2-(2,5-dimethylphenyl)-3-hexan-3-ylimidazolidin-4-one (PubChem CID 83252372) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 2-(2,5-dimethylphenyl)-3-hexan-3-ylimidazolidin-4-one.

Molecular Properties

Compound Name2-(2,5-dimethylphenyl)-3-hexan-3-ylimidazolidin-4-one
PubChem CID83252372
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name2-(2,5-dimethylphenyl)-3-hexan-3-ylimidazolidin-4-one
SMILESCCCC(CC)N1C(=O)CNC1c1cc(C)ccc1C
InChIInChI=1S/C17H26N2O/c1-5-7-14(6-2)19-16(20)11-18-17(19)15-10-12(3)8-9-13(15)4/h8-10,14,17-18H,5-7,11H2,1-4H3
InChIKeyYBFIXEAXFCZRPH-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

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Related Compounds

2-(2,5-dimethylphenyl)-3-(3-ethylpentan-2-yl)imidazolidin-4-one
CID 83262876
2-(2,5-dimethylphenyl)-3-(4-methylpentan-2-yl)imidazolidin-4-one
CID 83243602
2-(2,5-dimethylphenyl)-3-(1-ethoxypropan-2-yl)imidazolidin-4-one
CID 83247452
2-(2,5-dimethylphenyl)-3-propylimidazolidin-4-one
CID 115282074
2-(2,5-dimethylphenyl)-3-ethylimidazolidin-4-one
CID 115282036
2-(2,5-dimethylphenyl)-3-(2-methylbutyl)imidazolidin-4-one
CID 83252083
3-[2-(dimethylamino)propyl]-2-(2,5-dimethylphenyl)imidazolidin-4-one
CID 83249885
2-ethyl-3-hexan-3-ylimidazolidin-4-one
CID 83252525
2-(2,5-dimethylphenyl)-3-(3-propoxypropyl)imidazolidin-4-one
CID 83269616
3-(cyclopentylmethyl)-2-(2,5-dimethylphenyl)imidazolidin-4-one
CID 83243427
3-(1-cyclopropylbutan-2-yl)-2-(5-methylthiophen-2-yl)imidazolidin-4-one
CID 83264382
3-octan-4-yl-2-phenylimidazolidin-4-one
CID 106021439

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylphenyl)-3-hexan-3-ylimidazolidin-4-one?
The IUPAC name of 2-(2,5-dimethylphenyl)-3-hexan-3-ylimidazolidin-4-one (CID 83252372) is 2-(2,5-dimethylphenyl)-3-hexan-3-ylimidazolidin-4-one.
What is the SMILES notation for 2-(2,5-dimethylphenyl)-3-hexan-3-ylimidazolidin-4-one?
The canonical SMILES for 2-(2,5-dimethylphenyl)-3-hexan-3-ylimidazolidin-4-one is CCCC(CC)N1C(=O)CNC1c1cc(C)ccc1C.
What is the InChIKey of 2-(2,5-dimethylphenyl)-3-hexan-3-ylimidazolidin-4-one?
The InChIKey is YBFIXEAXFCZRPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-5-7-14(6-2)19-16(20)11-18-17(19)15-10-12(3)8-9-13(15)4/h8-10,14,17-18H,5-7,11H2,1-4H3.
What are the key properties of 2-(2,5-dimethylphenyl)-3-hexan-3-ylimidazolidin-4-one?
2-(2,5-dimethylphenyl)-3-hexan-3-ylimidazolidin-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)-3-hexan-3-ylimidazolidin-4-one is sourced from PubChem (CID 83252372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).