2-(2,5-dimethylphenyl)-3-(4-methylpentan-2-yl)imidazolidin-4-one

C17H26N2O — CID 83243602

IUPAC2-(2,5-dimethylphenyl)-3-(4-methylpentan-2-yl)imidazolidin-4-one
SMILESCc1ccc(C)c(C2NCC(=O)N2C(C)CC(C)C)c1
InChIInChI=1S/C17H26N2O/c1-11(2)8-14(5)19-16(20)10-18-17(19)15-9-12(3)6-7-13(15)4/h6-7,9,11,14,17-18H,8,10H2,1-5H3
InChIKeyXQQJNUKETUOKDT-UHFFFAOYSA-N
MW274.41 g/mol
LogP3.17
Rot. Bonds4

About 2-(2,5-dimethylphenyl)-3-(4-methylpentan-2-yl)imidazolidin-4-one

2-(2,5-dimethylphenyl)-3-(4-methylpentan-2-yl)imidazolidin-4-one (PubChem CID 83243602) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 2-(2,5-dimethylphenyl)-3-(4-methylpentan-2-yl)imidazolidin-4-one.

Molecular Properties

Compound Name2-(2,5-dimethylphenyl)-3-(4-methylpentan-2-yl)imidazolidin-4-one
PubChem CID83243602
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name2-(2,5-dimethylphenyl)-3-(4-methylpentan-2-yl)imidazolidin-4-one
SMILESCc1ccc(C)c(C2NCC(=O)N2C(C)CC(C)C)c1
InChIInChI=1S/C17H26N2O/c1-11(2)8-14(5)19-16(20)10-18-17(19)15-9-12(3)6-7-13(15)4/h6-7,9,11,14,17-18H,8,10H2,1-5H3
InChIKeyXQQJNUKETUOKDT-UHFFFAOYSA-N
XLogP3.17
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,5-dimethylphenyl)-3-(1-ethoxypropan-2-yl)imidazolidin-4-one
CID 83247452
2-(2,5-dimethylphenyl)-3-(3-ethylpentan-2-yl)imidazolidin-4-one
CID 83262876
2-(2,5-dimethylphenyl)-3-hexan-3-ylimidazolidin-4-one
CID 83252372
3-[2-(dimethylamino)propyl]-2-(2,5-dimethylphenyl)imidazolidin-4-one
CID 83249885
2-(2-methoxyphenyl)-3-(4-methylpentan-2-yl)imidazolidin-4-one
CID 83244014
2-(2,5-dimethylphenyl)-3-ethylimidazolidin-4-one
CID 115282036
2-(2,5-dimethylphenyl)-3-(2-methylbutyl)imidazolidin-4-one
CID 83252083
2-(2,5-dimethylphenyl)-3-propylimidazolidin-4-one
CID 115282074
3-(3,3-dimethylbutan-2-yl)-2-(2,4-dimethylphenyl)imidazolidin-4-one
CID 114983586
3-(cyclopentylmethyl)-2-(2,5-dimethylphenyl)imidazolidin-4-one
CID 83243427
3-(6-methylheptan-2-yl)-2-(4-methylphenyl)imidazolidin-4-one
CID 83252329
2-(2,5-dimethylphenyl)-3-(oxolan-3-ylmethyl)imidazolidin-4-one
CID 83254467

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylphenyl)-3-(4-methylpentan-2-yl)imidazolidin-4-one?
The IUPAC name of 2-(2,5-dimethylphenyl)-3-(4-methylpentan-2-yl)imidazolidin-4-one (CID 83243602) is 2-(2,5-dimethylphenyl)-3-(4-methylpentan-2-yl)imidazolidin-4-one.
What is the SMILES notation for 2-(2,5-dimethylphenyl)-3-(4-methylpentan-2-yl)imidazolidin-4-one?
The canonical SMILES for 2-(2,5-dimethylphenyl)-3-(4-methylpentan-2-yl)imidazolidin-4-one is Cc1ccc(C)c(C2NCC(=O)N2C(C)CC(C)C)c1.
What is the InChIKey of 2-(2,5-dimethylphenyl)-3-(4-methylpentan-2-yl)imidazolidin-4-one?
The InChIKey is XQQJNUKETUOKDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-11(2)8-14(5)19-16(20)10-18-17(19)15-9-12(3)6-7-13(15)4/h6-7,9,11,14,17-18H,8,10H2,1-5H3.
What are the key properties of 2-(2,5-dimethylphenyl)-3-(4-methylpentan-2-yl)imidazolidin-4-one?
2-(2,5-dimethylphenyl)-3-(4-methylpentan-2-yl)imidazolidin-4-one has a molecular weight of 274.41 g/mol, XLogP of 3.17, 4 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-(4-methylpentan-2-yl)imidazolidin-4-one is sourced from PubChem (CID 83243602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).