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

C16H22N2O2 — CID 83270445

IUPAC2-(2,5-dimethylphenyl)-5-methyl-3-(oxolan-3-yl)imidazolidin-4-one
SMILESCc1ccc(C)c(C2NC(C)C(=O)N2C2CCOC2)c1
InChIInChI=1S/C16H22N2O2/c1-10-4-5-11(2)14(8-10)15-17-12(3)16(19)18(15)13-6-7-20-9-13/h4-5,8,12-13,15,17H,6-7,9H2,1-3H3
InChIKeyVAJNXQRSXOBSDK-UHFFFAOYSA-N
MW274.36 g/mol
LogP1.91
Rot. Bonds2

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

2-(2,5-dimethylphenyl)-5-methyl-3-(oxolan-3-yl)imidazolidin-4-one (PubChem CID 83270445) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 2-(2,5-dimethylphenyl)-5-methyl-3-(oxolan-3-yl)imidazolidin-4-one.

Molecular Properties

Compound Name2-(2,5-dimethylphenyl)-5-methyl-3-(oxolan-3-yl)imidazolidin-4-one
PubChem CID83270445
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name2-(2,5-dimethylphenyl)-5-methyl-3-(oxolan-3-yl)imidazolidin-4-one
SMILESCc1ccc(C)c(C2NC(C)C(=O)N2C2CCOC2)c1
InChIInChI=1S/C16H22N2O2/c1-10-4-5-11(2)14(8-10)15-17-12(3)16(19)18(15)13-6-7-20-9-13/h4-5,8,12-13,15,17H,6-7,9H2,1-3H3
InChIKeyVAJNXQRSXOBSDK-UHFFFAOYSA-N
XLogP1.91
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-methyl-3-(oxolan-3-yl)-2-thiophen-2-ylimidazolidin-4-one
CID 83270215
5-methyl-2-(4-nitrophenyl)-3-(oxolan-3-yl)imidazolidin-4-one
CID 83267221
2-(3-methoxyphenyl)-5-methyl-3-(oxolan-3-yl)imidazolidin-4-one
CID 83270932
2-(2,5-dimethylphenyl)-5-methyl-3-propylimidazolidin-4-one
CID 115282112
2-(4-chlorophenyl)-5-methyl-3-(oxan-4-yl)imidazolidin-4-one
CID 83256838
3-cyclopentyl-5-methyl-2-(4-methylphenyl)imidazolidin-4-one
CID 83243189
2-(2,5-dimethylphenyl)-3-(oxolan-3-ylmethyl)imidazolidin-4-one
CID 83254467
2-(2,5-dimethylphenyl)-5-methyl-3-pentylimidazolidin-4-one
CID 83250805
5-methyl-2-(4-methylphenyl)-3-(oxolan-3-ylmethyl)imidazolidin-4-one
CID 83254637
(4R)-4-(2,5-dimethylphenyl)-1,3-oxazolidin-2-one
CID 130067434
3-(4-hydroxycyclohexyl)-5-methyl-2-(3-methylphenyl)imidazolidin-4-one
CID 83238574
5-methyl-3-(3-methylcyclopentyl)-2-(4-methylphenyl)imidazolidin-4-one
CID 114552392

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylphenyl)-5-methyl-3-(oxolan-3-yl)imidazolidin-4-one?
The IUPAC name of 2-(2,5-dimethylphenyl)-5-methyl-3-(oxolan-3-yl)imidazolidin-4-one (CID 83270445) is 2-(2,5-dimethylphenyl)-5-methyl-3-(oxolan-3-yl)imidazolidin-4-one.
What is the SMILES notation for 2-(2,5-dimethylphenyl)-5-methyl-3-(oxolan-3-yl)imidazolidin-4-one?
The canonical SMILES for 2-(2,5-dimethylphenyl)-5-methyl-3-(oxolan-3-yl)imidazolidin-4-one is Cc1ccc(C)c(C2NC(C)C(=O)N2C2CCOC2)c1.
What is the InChIKey of 2-(2,5-dimethylphenyl)-5-methyl-3-(oxolan-3-yl)imidazolidin-4-one?
The InChIKey is VAJNXQRSXOBSDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-10-4-5-11(2)14(8-10)15-17-12(3)16(19)18(15)13-6-7-20-9-13/h4-5,8,12-13,15,17H,6-7,9H2,1-3H3.
What are the key properties of 2-(2,5-dimethylphenyl)-5-methyl-3-(oxolan-3-yl)imidazolidin-4-one?
2-(2,5-dimethylphenyl)-5-methyl-3-(oxolan-3-yl)imidazolidin-4-one has a molecular weight of 274.36 g/mol, XLogP of 1.91, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylphenyl)-5-methyl-3-(oxolan-3-yl)imidazolidin-4-one is sourced from PubChem (CID 83270445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).