(5E)-5-[(E)-(4-chlorophenyl)methylidenehydrazinylidene]-1,3-diphenylimidazolidine-2,4-dione

C22H15ClN4O2 — CID 177409028

IUPAC(5E)-5-[(E)-(4-chlorophenyl)methylidenehydrazinylidene]-1,3-diphenylimidazolidine-2,4-dione
SMILESO=C1/C(=N\N=C\c2ccc(Cl)cc2)N(c2ccccc2)C(=O)N1c1ccccc1
InChIInChI=1S/C22H15ClN4O2/c23-17-13-11-16(12-14-17)15-24-25-20-21(28)27(19-9-5-2-6-10-19)22(29)26(20)18-7-3-1-4-8-18/h1-15H/b24-15+,25-20+
InChIKeyIQOWQJQKZCRCEA-CACOIOFQSA-N
MW402.84 g/mol
LogP4.75
Rot. Bonds4

About (5E)-5-[(E)-(4-chlorophenyl)methylidenehydrazinylidene]-1,3-diphenylimidazolidine-2,4-dione

(5E)-5-[(E)-(4-chlorophenyl)methylidenehydrazinylidene]-1,3-diphenylimidazolidine-2,4-dione (PubChem CID 177409028) has the molecular formula C22H15ClN4O2 and a molecular weight of 402.84 g/mol. Its IUPAC name is (5E)-5-[(E)-(4-chlorophenyl)methylidenehydrazinylidene]-1,3-diphenylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5E)-5-[(E)-(4-chlorophenyl)methylidenehydrazinylidene]-1,3-diphenylimidazolidine-2,4-dione
PubChem CID177409028
Molecular FormulaC22H15ClN4O2
Molecular Weight402.84 g/mol
Exact Mass402.09
IUPAC Name(5E)-5-[(E)-(4-chlorophenyl)methylidenehydrazinylidene]-1,3-diphenylimidazolidine-2,4-dione
SMILESO=C1/C(=N\N=C\c2ccc(Cl)cc2)N(c2ccccc2)C(=O)N1c1ccccc1
InChIInChI=1S/C22H15ClN4O2/c23-17-13-11-16(12-14-17)15-24-25-20-21(28)27(19-9-5-2-6-10-19)22(29)26(20)18-7-3-1-4-8-18/h1-15H/b24-15+,25-20+
InChIKeyIQOWQJQKZCRCEA-CACOIOFQSA-N
XLogP4.75
TPSA65.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.84
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5E)-5-[(E)-(4-chlorophenyl)methylidenehydrazinylidene]-1,3-diphenylimidazolidine-2,4-dione?
The IUPAC name of (5E)-5-[(E)-(4-chlorophenyl)methylidenehydrazinylidene]-1,3-diphenylimidazolidine-2,4-dione (CID 177409028) is (5E)-5-[(E)-(4-chlorophenyl)methylidenehydrazinylidene]-1,3-diphenylimidazolidine-2,4-dione.
What is the SMILES notation for (5E)-5-[(E)-(4-chlorophenyl)methylidenehydrazinylidene]-1,3-diphenylimidazolidine-2,4-dione?
The canonical SMILES for (5E)-5-[(E)-(4-chlorophenyl)methylidenehydrazinylidene]-1,3-diphenylimidazolidine-2,4-dione is O=C1/C(=N\N=C\c2ccc(Cl)cc2)N(c2ccccc2)C(=O)N1c1ccccc1.
What is the InChIKey of (5E)-5-[(E)-(4-chlorophenyl)methylidenehydrazinylidene]-1,3-diphenylimidazolidine-2,4-dione?
The InChIKey is IQOWQJQKZCRCEA-CACOIOFQSA-N. The full InChI is InChI=1S/C22H15ClN4O2/c23-17-13-11-16(12-14-17)15-24-25-20-21(28)27(19-9-5-2-6-10-19)22(29)26(20)18-7-3-1-4-8-18/h1-15H/b24-15+,25-20+.
What are the key properties of (5E)-5-[(E)-(4-chlorophenyl)methylidenehydrazinylidene]-1,3-diphenylimidazolidine-2,4-dione?
(5E)-5-[(E)-(4-chlorophenyl)methylidenehydrazinylidene]-1,3-diphenylimidazolidine-2,4-dione has a molecular weight of 402.84 g/mol, XLogP of 4.75, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-[(E)-(4-chlorophenyl)methylidenehydrazinylidene]-1,3-diphenylimidazolidine-2,4-dione is sourced from PubChem (CID 177409028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).