5-[(2-bromophenyl)methylidene]-3-[(2-bromophenyl)methylideneamino]-2-phenylimidazol-4-one

C23H15Br2N3O — CID 3079704

IUPAC5-[(2-bromophenyl)methylidene]-3-[(2-bromophenyl)methylideneamino]-2-phenylimidazol-4-one
SMILESO=C1C(=Cc2ccccc2Br)N=C(c2ccccc2)N1N=Cc1ccccc1Br
InChIInChI=1S/C23H15Br2N3O/c24-19-12-6-4-10-17(19)14-21-23(29)28(22(27-21)16-8-2-1-3-9-16)26-15-18-11-5-7-13-20(18)25/h1-15H
InChIKeyOXIMFDXTNKUMLU-UHFFFAOYSA-N
MW509.20 g/mol
LogP5.88
Rot. Bonds4

About 5-[(2-bromophenyl)methylidene]-3-[(2-bromophenyl)methylideneamino]-2-phenylimidazol-4-one

5-[(2-bromophenyl)methylidene]-3-[(2-bromophenyl)methylideneamino]-2-phenylimidazol-4-one (PubChem CID 3079704) has the molecular formula C23H15Br2N3O and a molecular weight of 509.20 g/mol. Its IUPAC name is 5-[(2-bromophenyl)methylidene]-3-[(2-bromophenyl)methylideneamino]-2-phenylimidazol-4-one.

Molecular Properties

Compound Name5-[(2-bromophenyl)methylidene]-3-[(2-bromophenyl)methylideneamino]-2-phenylimidazol-4-one
PubChem CID3079704
Molecular FormulaC23H15Br2N3O
Molecular Weight509.20 g/mol
Exact Mass506.96
IUPAC Name5-[(2-bromophenyl)methylidene]-3-[(2-bromophenyl)methylideneamino]-2-phenylimidazol-4-one
SMILESO=C1C(=Cc2ccccc2Br)N=C(c2ccccc2)N1N=Cc1ccccc1Br
InChIInChI=1S/C23H15Br2N3O/c24-19-12-6-4-10-17(19)14-21-23(29)28(22(27-21)16-8-2-1-3-9-16)26-15-18-11-5-7-13-20(18)25/h1-15H
InChIKeyOXIMFDXTNKUMLU-UHFFFAOYSA-N
XLogP5.88
TPSA45.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500509.20
LogP ≤ 55.88
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)-5-benzylidene-3-[(E)-(4-chlorophenyl)methylideneamino]-2-phenylimidazol-4-one
CID 20845059
5-[(2-chlorophenyl)methylidene]-3-[(4-nitrophenyl)methylideneamino]-2-phenylimidazol-4-one
CID 3079698
(5E)-3-[(E)-benzylideneamino]-5-[(4-methoxyphenyl)methylidene]-2-phenylimidazol-4-one
CID 177408964
3-[(E)-[5-(diethylamino)-2-hydroxyphenyl]methylideneamino]-5-[(2-nitrophenyl)methylidene]-2-phenylimidazol-4-one
CID 135822044
(Z)-1-(2-bromophenyl)-N-(3-phenyl-1,2,4-triazol-4-yl)methanimine
CID 9027901
(5Z)-5-[(2-hydroxyphenyl)methylidene]-3-[2-[(4E)-4-[(2-hydroxyphenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]-2-sulfanylideneethanethioyl]-2-phenylimidazol-4-one
CID 45041856
(4E)-4-[(2-bromophenyl)methylidene]-2-methyl-1,3-oxazol-5-one
CID 6927604
(4Z)-4-benzylidene-5-oxo-2-phenylimidazole-1-carboxamide
CID 11543853
(4Z)-2-(4-bromophenyl)-4-[(2-bromophenyl)methylidene]-1,3-oxazol-5-one
CID 1103706
(3Z)-3-[(4Z)-4-[(4-chlorophenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]imino-1H-indol-2-one
CID 135436176
(3Z)-3-[(4E)-4-(furan-2-ylmethylidene)-5-oxo-2-phenylimidazol-1-yl]imino-1H-indol-2-one
CID 135748227
3-[(2-bromophenyl)methylidene]-5-phenylfuran-2-one
CID 888387

Frequently Asked Questions

What is the IUPAC name of 5-[(2-bromophenyl)methylidene]-3-[(2-bromophenyl)methylideneamino]-2-phenylimidazol-4-one?
The IUPAC name of 5-[(2-bromophenyl)methylidene]-3-[(2-bromophenyl)methylideneamino]-2-phenylimidazol-4-one (CID 3079704) is 5-[(2-bromophenyl)methylidene]-3-[(2-bromophenyl)methylideneamino]-2-phenylimidazol-4-one.
What is the SMILES notation for 5-[(2-bromophenyl)methylidene]-3-[(2-bromophenyl)methylideneamino]-2-phenylimidazol-4-one?
The canonical SMILES for 5-[(2-bromophenyl)methylidene]-3-[(2-bromophenyl)methylideneamino]-2-phenylimidazol-4-one is O=C1C(=Cc2ccccc2Br)N=C(c2ccccc2)N1N=Cc1ccccc1Br.
What is the InChIKey of 5-[(2-bromophenyl)methylidene]-3-[(2-bromophenyl)methylideneamino]-2-phenylimidazol-4-one?
The InChIKey is OXIMFDXTNKUMLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15Br2N3O/c24-19-12-6-4-10-17(19)14-21-23(29)28(22(27-21)16-8-2-1-3-9-16)26-15-18-11-5-7-13-20(18)25/h1-15H.
What are the key properties of 5-[(2-bromophenyl)methylidene]-3-[(2-bromophenyl)methylideneamino]-2-phenylimidazol-4-one?
5-[(2-bromophenyl)methylidene]-3-[(2-bromophenyl)methylideneamino]-2-phenylimidazol-4-one has a molecular weight of 509.20 g/mol, XLogP of 5.88, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-bromophenyl)methylidene]-3-[(2-bromophenyl)methylideneamino]-2-phenylimidazol-4-one is sourced from PubChem (CID 3079704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).