(5E)-5-benzylidene-3-[(E)-(4-chlorophenyl)methylideneamino]-2-phenylimidazol-4-one

C23H16ClN3O — CID 20845059

IUPAC(5E)-5-benzylidene-3-[(E)-(4-chlorophenyl)methylideneamino]-2-phenylimidazol-4-one
SMILESO=C1/C(=C\c2ccccc2)N=C(c2ccccc2)N1/N=C/c1ccc(Cl)cc1
InChIInChI=1S/C23H16ClN3O/c24-20-13-11-18(12-14-20)16-25-27-22(19-9-5-2-6-10-19)26-21(23(27)28)15-17-7-3-1-4-8-17/h1-16H/b21-15+,25-16+
InChIKeyLVGIQYSBHSSBAM-UPXQHGRYSA-N
MW385.85 g/mol
LogP5.00
Rot. Bonds4

About (5E)-5-benzylidene-3-[(E)-(4-chlorophenyl)methylideneamino]-2-phenylimidazol-4-one

(5E)-5-benzylidene-3-[(E)-(4-chlorophenyl)methylideneamino]-2-phenylimidazol-4-one (PubChem CID 20845059) has the molecular formula C23H16ClN3O and a molecular weight of 385.85 g/mol. Its IUPAC name is (5E)-5-benzylidene-3-[(E)-(4-chlorophenyl)methylideneamino]-2-phenylimidazol-4-one.

Molecular Properties

Compound Name(5E)-5-benzylidene-3-[(E)-(4-chlorophenyl)methylideneamino]-2-phenylimidazol-4-one
PubChem CID20845059
Molecular FormulaC23H16ClN3O
Molecular Weight385.85 g/mol
Exact Mass385.10
IUPAC Name(5E)-5-benzylidene-3-[(E)-(4-chlorophenyl)methylideneamino]-2-phenylimidazol-4-one
SMILESO=C1/C(=C\c2ccccc2)N=C(c2ccccc2)N1/N=C/c1ccc(Cl)cc1
InChIInChI=1S/C23H16ClN3O/c24-20-13-11-18(12-14-20)16-25-27-22(19-9-5-2-6-10-19)26-21(23(27)28)15-17-7-3-1-4-8-17/h1-16H/b21-15+,25-16+
InChIKeyLVGIQYSBHSSBAM-UPXQHGRYSA-N
XLogP5.00
TPSA45.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.85
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(5E)-3-[(E)-benzylideneamino]-5-[(4-methoxyphenyl)methylidene]-2-phenylimidazol-4-one
CID 177408964
(5Z)-5-[(4-chlorophenyl)methylidene]-3-[2-[(4E)-4-[(4-chlorophenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]ethyl]-2-phenylimidazol-4-one
CID 6532748
5-[(4-chlorophenyl)methylidene]-3-methyl-2-phenylimidazol-4-one
CID 71951452
(3Z)-3-[(4Z)-4-[(4-chlorophenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]imino-1H-indol-2-one
CID 135436176
5-[(2-chlorophenyl)methylidene]-3-[(4-nitrophenyl)methylideneamino]-2-phenylimidazol-4-one
CID 3079698
(5Z)-3-(4-chlorophenyl)-5-[(4-chlorophenyl)methylidene]-2-phenylimidazol-4-one
CID 6014630
5-[(2-bromophenyl)methylidene]-3-[(2-bromophenyl)methylideneamino]-2-phenylimidazol-4-one
CID 3079704
(5E)-5-[(4-chlorophenyl)methylidene]-3-(5-methyl-1,3,4-thiadiazol-2-yl)-2-phenylimidazol-4-one
CID 11188186
3-benzyl-5-[(4-fluorophenyl)methylidene]-2-phenylimidazol-4-one
CID 1047059
2-(4-chlorophenyl)-N-[(4Z)-4-[(4-hydroxyphenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]acetamide
CID 10622588
(4Z)-4-benzylidene-5-oxo-2-phenylimidazole-1-carboxamide
CID 11543853
(5Z)-5-benzylidene-3-[2-[(4E)-4-benzylidene-2-(2,4-dichlorophenyl)-5-oxoimidazol-1-yl]ethyl]-2-(2,4-dichlorophenyl)imidazol-4-one
CID 6223567

Frequently Asked Questions

What is the IUPAC name of (5E)-5-benzylidene-3-[(E)-(4-chlorophenyl)methylideneamino]-2-phenylimidazol-4-one?
The IUPAC name of (5E)-5-benzylidene-3-[(E)-(4-chlorophenyl)methylideneamino]-2-phenylimidazol-4-one (CID 20845059) is (5E)-5-benzylidene-3-[(E)-(4-chlorophenyl)methylideneamino]-2-phenylimidazol-4-one.
What is the SMILES notation for (5E)-5-benzylidene-3-[(E)-(4-chlorophenyl)methylideneamino]-2-phenylimidazol-4-one?
The canonical SMILES for (5E)-5-benzylidene-3-[(E)-(4-chlorophenyl)methylideneamino]-2-phenylimidazol-4-one is O=C1/C(=C\c2ccccc2)N=C(c2ccccc2)N1/N=C/c1ccc(Cl)cc1.
What is the InChIKey of (5E)-5-benzylidene-3-[(E)-(4-chlorophenyl)methylideneamino]-2-phenylimidazol-4-one?
The InChIKey is LVGIQYSBHSSBAM-UPXQHGRYSA-N. The full InChI is InChI=1S/C23H16ClN3O/c24-20-13-11-18(12-14-20)16-25-27-22(19-9-5-2-6-10-19)26-21(23(27)28)15-17-7-3-1-4-8-17/h1-16H/b21-15+,25-16+.
What are the key properties of (5E)-5-benzylidene-3-[(E)-(4-chlorophenyl)methylideneamino]-2-phenylimidazol-4-one?
(5E)-5-benzylidene-3-[(E)-(4-chlorophenyl)methylideneamino]-2-phenylimidazol-4-one has a molecular weight of 385.85 g/mol, XLogP of 5.00, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-benzylidene-3-[(E)-(4-chlorophenyl)methylideneamino]-2-phenylimidazol-4-one is sourced from PubChem (CID 20845059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).