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

C23H19N3O4 — CID 135788062

IUPAC3-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-5,5-diphenylimidazolidine-2,4-dione
SMILESCOc1cc(/C=N/N2C(=O)NC(c3ccccc3)(c3ccccc3)C2=O)ccc1O
InChIInChI=1S/C23H19N3O4/c1-30-20-14-16(12-13-19(20)27)15-24-26-21(28)23(25-22(26)29,17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-15,27H,1H3,(H,25,29)/b24-15+
InChIKeyKDORKDAVWBILDW-BUVRLJJBSA-N
MW401.42 g/mol
LogP3.23
Rot. Bonds5

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

3-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-5,5-diphenylimidazolidine-2,4-dione (PubChem CID 135788062) has the molecular formula C23H19N3O4 and a molecular weight of 401.42 g/mol. Its IUPAC name is 3-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-5,5-diphenylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-5,5-diphenylimidazolidine-2,4-dione
PubChem CID135788062
Molecular FormulaC23H19N3O4
Molecular Weight401.42 g/mol
Exact Mass401.14
IUPAC Name3-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-5,5-diphenylimidazolidine-2,4-dione
SMILESCOc1cc(/C=N/N2C(=O)NC(c3ccccc3)(c3ccccc3)C2=O)ccc1O
InChIInChI=1S/C23H19N3O4/c1-30-20-14-16(12-13-19(20)27)15-24-26-21(28)23(25-22(26)29,17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-15,27H,1H3,(H,25,29)/b24-15+
InChIKeyKDORKDAVWBILDW-BUVRLJJBSA-N
XLogP3.23
TPSA91.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.42
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'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 3-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-5,5-diphenylimidazolidine-2,4-dione?
The IUPAC name of 3-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-5,5-diphenylimidazolidine-2,4-dione (CID 135788062) is 3-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-5,5-diphenylimidazolidine-2,4-dione.
What is the SMILES notation for 3-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-5,5-diphenylimidazolidine-2,4-dione?
The canonical SMILES for 3-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-5,5-diphenylimidazolidine-2,4-dione is COc1cc(/C=N/N2C(=O)NC(c3ccccc3)(c3ccccc3)C2=O)ccc1O.
What is the InChIKey of 3-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-5,5-diphenylimidazolidine-2,4-dione?
The InChIKey is KDORKDAVWBILDW-BUVRLJJBSA-N. The full InChI is InChI=1S/C23H19N3O4/c1-30-20-14-16(12-13-19(20)27)15-24-26-21(28)23(25-22(26)29,17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-15,27H,1H3,(H,25,29)/b24-15+.
What are the key properties of 3-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-5,5-diphenylimidazolidine-2,4-dione?
3-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-5,5-diphenylimidazolidine-2,4-dione has a molecular weight of 401.42 g/mol, XLogP of 3.23, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-5,5-diphenylimidazolidine-2,4-dione is sourced from PubChem (CID 135788062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).