3-(2,2-dimethyloxan-4-yl)-2-(4-methylphenyl)imidazolidin-4-one

C17H24N2O2 — CID 83269852

IUPAC3-(2,2-dimethyloxan-4-yl)-2-(4-methylphenyl)imidazolidin-4-one
SMILESCc1ccc(C2NCC(=O)N2C2CCOC(C)(C)C2)cc1
InChIInChI=1S/C17H24N2O2/c1-12-4-6-13(7-5-12)16-18-11-15(20)19(16)14-8-9-21-17(2,3)10-14/h4-7,14,16,18H,8-11H2,1-3H3
InChIKeyPSAMXGDRJMVIDG-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.38
Rot. Bonds2

About 3-(2,2-dimethyloxan-4-yl)-2-(4-methylphenyl)imidazolidin-4-one

3-(2,2-dimethyloxan-4-yl)-2-(4-methylphenyl)imidazolidin-4-one (PubChem CID 83269852) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 3-(2,2-dimethyloxan-4-yl)-2-(4-methylphenyl)imidazolidin-4-one.

Molecular Properties

Compound Name3-(2,2-dimethyloxan-4-yl)-2-(4-methylphenyl)imidazolidin-4-one
PubChem CID83269852
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name3-(2,2-dimethyloxan-4-yl)-2-(4-methylphenyl)imidazolidin-4-one
SMILESCc1ccc(C2NCC(=O)N2C2CCOC(C)(C)C2)cc1
InChIInChI=1S/C17H24N2O2/c1-12-4-6-13(7-5-12)16-18-11-15(20)19(16)14-8-9-21-17(2,3)10-14/h4-7,14,16,18H,8-11H2,1-3H3
InChIKeyPSAMXGDRJMVIDG-UHFFFAOYSA-N
XLogP2.38
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-methylphenyl)-3-(1-methylpiperidin-4-yl)imidazolidin-4-one
CID 83244495
2-(4-fluorophenyl)-3-(oxan-4-yl)imidazolidin-4-one
CID 83256425
3-(3-ethylcyclohexyl)-2-(4-methylphenyl)imidazolidin-4-one
CID 83266710
3-(2,3-dimethylcyclopentyl)-2-(4-methylphenyl)imidazolidin-4-one
CID 83259159
3-(3,3-dimethylcyclohexyl)-2-phenylimidazolidin-4-one
CID 83270874
2-(4-methoxyphenyl)-3-(oxolan-3-yl)imidazolidin-4-one
CID 83270364
3-cyclobutyl-2-(4-methylsulfanylphenyl)imidazolidin-4-one
CID 83254980
2-(4-methoxy-3-methylphenyl)-3-(oxolan-3-yl)imidazolidin-4-one
CID 83270371
2-(4-methylsulfanylphenyl)-3-(oxan-3-yl)imidazolidin-4-one
CID 83264649
3-(4-methylcyclohexyl)-2-phenylimidazolidin-4-one
CID 83239821
3-(2,2-dimethyloxan-4-yl)-2-ethyl-1,3-diazaspiro[4.4]nonan-4-one
CID 83259569
3-cyclohexyl-2-(4-methoxyphenyl)imidazolidin-4-one
CID 83242702

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-dimethyloxan-4-yl)-2-(4-methylphenyl)imidazolidin-4-one?
The IUPAC name of 3-(2,2-dimethyloxan-4-yl)-2-(4-methylphenyl)imidazolidin-4-one (CID 83269852) is 3-(2,2-dimethyloxan-4-yl)-2-(4-methylphenyl)imidazolidin-4-one.
What is the SMILES notation for 3-(2,2-dimethyloxan-4-yl)-2-(4-methylphenyl)imidazolidin-4-one?
The canonical SMILES for 3-(2,2-dimethyloxan-4-yl)-2-(4-methylphenyl)imidazolidin-4-one is Cc1ccc(C2NCC(=O)N2C2CCOC(C)(C)C2)cc1.
What is the InChIKey of 3-(2,2-dimethyloxan-4-yl)-2-(4-methylphenyl)imidazolidin-4-one?
The InChIKey is PSAMXGDRJMVIDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-12-4-6-13(7-5-12)16-18-11-15(20)19(16)14-8-9-21-17(2,3)10-14/h4-7,14,16,18H,8-11H2,1-3H3.
What are the key properties of 3-(2,2-dimethyloxan-4-yl)-2-(4-methylphenyl)imidazolidin-4-one?
3-(2,2-dimethyloxan-4-yl)-2-(4-methylphenyl)imidazolidin-4-one has a molecular weight of 288.39 g/mol, XLogP of 2.38, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-dimethyloxan-4-yl)-2-(4-methylphenyl)imidazolidin-4-one is sourced from PubChem (CID 83269852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).