3-[(Z)-(3,5-dimethoxyphenyl)methylideneamino]-5,5-diphenylimidazolidine-2,4-dione

C24H21N3O4 — CID 9349596

IUPAC3-[(Z)-(3,5-dimethoxyphenyl)methylideneamino]-5,5-diphenylimidazolidine-2,4-dione
SMILESCOc1cc(/C=N\N2C(=O)NC(c3ccccc3)(c3ccccc3)C2=O)cc(OC)c1
InChIInChI=1S/C24H21N3O4/c1-30-20-13-17(14-21(15-20)31-2)16-25-27-22(28)24(26-23(27)29,18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-16H,1-2H3,(H,26,29)/b25-16-
InChIKeyGUEDDCDYZSYQSC-XYGWBWBKSA-N
MW415.45 g/mol
LogP3.53
Rot. Bonds6

About 3-[(Z)-(3,5-dimethoxyphenyl)methylideneamino]-5,5-diphenylimidazolidine-2,4-dione

3-[(Z)-(3,5-dimethoxyphenyl)methylideneamino]-5,5-diphenylimidazolidine-2,4-dione (PubChem CID 9349596) has the molecular formula C24H21N3O4 and a molecular weight of 415.45 g/mol. Its IUPAC name is 3-[(Z)-(3,5-dimethoxyphenyl)methylideneamino]-5,5-diphenylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[(Z)-(3,5-dimethoxyphenyl)methylideneamino]-5,5-diphenylimidazolidine-2,4-dione
PubChem CID9349596
Molecular FormulaC24H21N3O4
Molecular Weight415.45 g/mol
Exact Mass415.15
IUPAC Name3-[(Z)-(3,5-dimethoxyphenyl)methylideneamino]-5,5-diphenylimidazolidine-2,4-dione
SMILESCOc1cc(/C=N\N2C(=O)NC(c3ccccc3)(c3ccccc3)C2=O)cc(OC)c1
InChIInChI=1S/C24H21N3O4/c1-30-20-13-17(14-21(15-20)31-2)16-25-27-22(28)24(26-23(27)29,18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-16H,1-2H3,(H,26,29)/b25-16-
InChIKeyGUEDDCDYZSYQSC-XYGWBWBKSA-N
XLogP3.53
TPSA80.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.45
LogP ≤ 53.53
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 3-[(Z)-(3,5-dimethoxyphenyl)methylideneamino]-5,5-diphenylimidazolidine-2,4-dione?
The IUPAC name of 3-[(Z)-(3,5-dimethoxyphenyl)methylideneamino]-5,5-diphenylimidazolidine-2,4-dione (CID 9349596) is 3-[(Z)-(3,5-dimethoxyphenyl)methylideneamino]-5,5-diphenylimidazolidine-2,4-dione.
What is the SMILES notation for 3-[(Z)-(3,5-dimethoxyphenyl)methylideneamino]-5,5-diphenylimidazolidine-2,4-dione?
The canonical SMILES for 3-[(Z)-(3,5-dimethoxyphenyl)methylideneamino]-5,5-diphenylimidazolidine-2,4-dione is COc1cc(/C=N\N2C(=O)NC(c3ccccc3)(c3ccccc3)C2=O)cc(OC)c1.
What is the InChIKey of 3-[(Z)-(3,5-dimethoxyphenyl)methylideneamino]-5,5-diphenylimidazolidine-2,4-dione?
The InChIKey is GUEDDCDYZSYQSC-XYGWBWBKSA-N. The full InChI is InChI=1S/C24H21N3O4/c1-30-20-13-17(14-21(15-20)31-2)16-25-27-22(28)24(26-23(27)29,18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-16H,1-2H3,(H,26,29)/b25-16-.
What are the key properties of 3-[(Z)-(3,5-dimethoxyphenyl)methylideneamino]-5,5-diphenylimidazolidine-2,4-dione?
3-[(Z)-(3,5-dimethoxyphenyl)methylideneamino]-5,5-diphenylimidazolidine-2,4-dione has a molecular weight of 415.45 g/mol, XLogP of 3.53, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(Z)-(3,5-dimethoxyphenyl)methylideneamino]-5,5-diphenylimidazolidine-2,4-dione is sourced from PubChem (CID 9349596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).