5-(4-methoxyphenyl)-3-[(E)-(4-methoxyphenyl)methylideneamino]-5-methylimidazolidine-2,4-dione

C19H19N3O4 — CID 42995825

IUPAC5-(4-methoxyphenyl)-3-[(E)-(4-methoxyphenyl)methylideneamino]-5-methylimidazolidine-2,4-dione
SMILESCOc1ccc(/C=N/N2C(=O)NC(C)(c3ccc(OC)cc3)C2=O)cc1
InChIInChI=1S/C19H19N3O4/c1-19(14-6-10-16(26-3)11-7-14)17(23)22(18(24)21-19)20-12-13-4-8-15(25-2)9-5-13/h4-12H,1-3H3,(H,21,24)/b20-12+
InChIKeyHVTZAQSBFKGUHI-UDWIEESQSA-N
MW353.38 g/mol
LogP2.50
Rot. Bonds5

About 5-(4-methoxyphenyl)-3-[(E)-(4-methoxyphenyl)methylideneamino]-5-methylimidazolidine-2,4-dione

5-(4-methoxyphenyl)-3-[(E)-(4-methoxyphenyl)methylideneamino]-5-methylimidazolidine-2,4-dione (PubChem CID 42995825) has the molecular formula C19H19N3O4 and a molecular weight of 353.38 g/mol. Its IUPAC name is 5-(4-methoxyphenyl)-3-[(E)-(4-methoxyphenyl)methylideneamino]-5-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name5-(4-methoxyphenyl)-3-[(E)-(4-methoxyphenyl)methylideneamino]-5-methylimidazolidine-2,4-dione
PubChem CID42995825
Molecular FormulaC19H19N3O4
Molecular Weight353.38 g/mol
Exact Mass353.14
IUPAC Name5-(4-methoxyphenyl)-3-[(E)-(4-methoxyphenyl)methylideneamino]-5-methylimidazolidine-2,4-dione
SMILESCOc1ccc(/C=N/N2C(=O)NC(C)(c3ccc(OC)cc3)C2=O)cc1
InChIInChI=1S/C19H19N3O4/c1-19(14-6-10-16(26-3)11-7-14)17(23)22(18(24)21-19)20-12-13-4-8-15(25-2)9-5-13/h4-12H,1-3H3,(H,21,24)/b20-12+
InChIKeyHVTZAQSBFKGUHI-UDWIEESQSA-N
XLogP2.50
TPSA80.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.38
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxyphenyl)-3-[(E)-(4-methoxyphenyl)methylideneamino]-5-methylimidazolidine-2,4-dione?
The IUPAC name of 5-(4-methoxyphenyl)-3-[(E)-(4-methoxyphenyl)methylideneamino]-5-methylimidazolidine-2,4-dione (CID 42995825) is 5-(4-methoxyphenyl)-3-[(E)-(4-methoxyphenyl)methylideneamino]-5-methylimidazolidine-2,4-dione.
What is the SMILES notation for 5-(4-methoxyphenyl)-3-[(E)-(4-methoxyphenyl)methylideneamino]-5-methylimidazolidine-2,4-dione?
The canonical SMILES for 5-(4-methoxyphenyl)-3-[(E)-(4-methoxyphenyl)methylideneamino]-5-methylimidazolidine-2,4-dione is COc1ccc(/C=N/N2C(=O)NC(C)(c3ccc(OC)cc3)C2=O)cc1.
What is the InChIKey of 5-(4-methoxyphenyl)-3-[(E)-(4-methoxyphenyl)methylideneamino]-5-methylimidazolidine-2,4-dione?
The InChIKey is HVTZAQSBFKGUHI-UDWIEESQSA-N. The full InChI is InChI=1S/C19H19N3O4/c1-19(14-6-10-16(26-3)11-7-14)17(23)22(18(24)21-19)20-12-13-4-8-15(25-2)9-5-13/h4-12H,1-3H3,(H,21,24)/b20-12+.
What are the key properties of 5-(4-methoxyphenyl)-3-[(E)-(4-methoxyphenyl)methylideneamino]-5-methylimidazolidine-2,4-dione?
5-(4-methoxyphenyl)-3-[(E)-(4-methoxyphenyl)methylideneamino]-5-methylimidazolidine-2,4-dione has a molecular weight of 353.38 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxyphenyl)-3-[(E)-(4-methoxyphenyl)methylideneamino]-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 42995825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).