3-[2-(4-methoxyphenoxy)ethyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione

C20H22N2O4 — CID 3000096

IUPAC3-[2-(4-methoxyphenoxy)ethyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione
SMILESCOc1ccc(OCCN2C(=O)NC(C)(c3ccc(C)cc3)C2=O)cc1
InChIInChI=1S/C20H22N2O4/c1-14-4-6-15(7-5-14)20(2)18(23)22(19(24)21-20)12-13-26-17-10-8-16(25-3)9-11-17/h4-11H,12-13H2,1-3H3,(H,21,24)
InChIKeyPQGPWJOQHQVKAD-UHFFFAOYSA-N
MW354.41 g/mol
LogP2.85
Rot. Bonds6

About 3-[2-(4-methoxyphenoxy)ethyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione

3-[2-(4-methoxyphenoxy)ethyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione (PubChem CID 3000096) has the molecular formula C20H22N2O4 and a molecular weight of 354.41 g/mol. Its IUPAC name is 3-[2-(4-methoxyphenoxy)ethyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[2-(4-methoxyphenoxy)ethyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione
PubChem CID3000096
Molecular FormulaC20H22N2O4
Molecular Weight354.41 g/mol
Exact Mass354.16
IUPAC Name3-[2-(4-methoxyphenoxy)ethyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione
SMILESCOc1ccc(OCCN2C(=O)NC(C)(c3ccc(C)cc3)C2=O)cc1
InChIInChI=1S/C20H22N2O4/c1-14-4-6-15(7-5-14)20(2)18(23)22(19(24)21-20)12-13-26-17-10-8-16(25-3)9-11-17/h4-11H,12-13H2,1-3H3,(H,21,24)
InChIKeyPQGPWJOQHQVKAD-UHFFFAOYSA-N
XLogP2.85
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-methoxyphenoxy)ethyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione?
The IUPAC name of 3-[2-(4-methoxyphenoxy)ethyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione (CID 3000096) is 3-[2-(4-methoxyphenoxy)ethyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione.
What is the SMILES notation for 3-[2-(4-methoxyphenoxy)ethyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione?
The canonical SMILES for 3-[2-(4-methoxyphenoxy)ethyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione is COc1ccc(OCCN2C(=O)NC(C)(c3ccc(C)cc3)C2=O)cc1.
What is the InChIKey of 3-[2-(4-methoxyphenoxy)ethyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione?
The InChIKey is PQGPWJOQHQVKAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O4/c1-14-4-6-15(7-5-14)20(2)18(23)22(19(24)21-20)12-13-26-17-10-8-16(25-3)9-11-17/h4-11H,12-13H2,1-3H3,(H,21,24).
What are the key properties of 3-[2-(4-methoxyphenoxy)ethyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione?
3-[2-(4-methoxyphenoxy)ethyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione has a molecular weight of 354.41 g/mol, XLogP of 2.85, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-methoxyphenoxy)ethyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione is sourced from PubChem (CID 3000096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).