2-[(E)-[1-[(E)-benzylideneamino]-4-phenylimidazol-2-yl]iminomethyl]-4,6-dibromophenol

C23H16Br2N4O — CID 135549453

IUPAC2-[(E)-[1-[(E)-benzylideneamino]-4-phenylimidazol-2-yl]iminomethyl]-4,6-dibromophenol
SMILESOc1c(Br)cc(Br)cc1/C=N/c1nc(-c2ccccc2)cn1/N=C/c1ccccc1
InChIInChI=1S/C23H16Br2N4O/c24-19-11-18(22(30)20(25)12-19)14-26-23-28-21(17-9-5-2-6-10-17)15-29(23)27-13-16-7-3-1-4-8-16/h1-15,30H/b26-14+,27-13+
InChIKeyGUZYPJLSBZNGOB-XOLIDWHGSA-N
MW524.22 g/mol
LogP6.41
Rot. Bonds5

About 2-[(E)-[1-[(E)-benzylideneamino]-4-phenylimidazol-2-yl]iminomethyl]-4,6-dibromophenol

2-[(E)-[1-[(E)-benzylideneamino]-4-phenylimidazol-2-yl]iminomethyl]-4,6-dibromophenol (PubChem CID 135549453) has the molecular formula C23H16Br2N4O and a molecular weight of 524.22 g/mol. Its IUPAC name is 2-[(E)-[1-[(E)-benzylideneamino]-4-phenylimidazol-2-yl]iminomethyl]-4,6-dibromophenol.

Molecular Properties

Compound Name2-[(E)-[1-[(E)-benzylideneamino]-4-phenylimidazol-2-yl]iminomethyl]-4,6-dibromophenol
PubChem CID135549453
Molecular FormulaC23H16Br2N4O
Molecular Weight524.22 g/mol
Exact Mass521.97
IUPAC Name2-[(E)-[1-[(E)-benzylideneamino]-4-phenylimidazol-2-yl]iminomethyl]-4,6-dibromophenol
SMILESOc1c(Br)cc(Br)cc1/C=N/c1nc(-c2ccccc2)cn1/N=C/c1ccccc1
InChIInChI=1S/C23H16Br2N4O/c24-19-11-18(22(30)20(25)12-19)14-26-23-28-21(17-9-5-2-6-10-17)15-29(23)27-13-16-7-3-1-4-8-16/h1-15,30H/b26-14+,27-13+
InChIKeyGUZYPJLSBZNGOB-XOLIDWHGSA-N
XLogP6.41
TPSA62.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.22
LogP ≤ 56.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2,4-dibromo-6-[[1-[(Z)-(3-nitrophenyl)methylideneamino]-4-phenylimidazol-2-yl]iminomethyl]phenol
CID 136861896
2,4-dibromo-6-[(E)-[4-phenyl-1-[(E)-1-phenylethylideneamino]imidazol-2-yl]iminomethyl]phenol
CID 135541788
2,4-dibromo-6-[[4-phenyl-1-[(Z)-1-phenylethylideneamino]imidazol-2-yl]iminomethyl]phenol
CID 136782848
4-bromo-2-[(E)-[1-[(E)-(4-methoxyphenyl)methylideneamino]-4-phenylimidazol-2-yl]iminomethyl]phenol
CID 135549450
2-[[1-[(Z)-benzylideneamino]-4,5-diphenylimidazol-2-yl]iminomethyl]-4,6-dibromophenol
CID 136695932
4-bromo-2-[[1-[(Z)-(3-nitrophenyl)methylideneamino]-4-phenylimidazol-2-yl]iminomethyl]phenol
CID 136904755
2,4-dibromo-6-[(E)-pyridin-2-yliminomethyl]phenol
CID 135458806
2-[(E)-1H-benzimidazol-2-yliminomethyl]-4,6-dibromophenol
CID 139085246
N-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-2-phenylquinoline-4-carboxamide
CID 4504170
2,4-dibromo-6-[(3-bromophenyl)iminomethyl]phenol
CID 1286585
N-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-3-(4-phenylphenyl)-1H-pyrazole-5-carboxamide
CID 135851245
4-[(E)-(3-bromo-2,5-dihydroxyphenyl)methylideneamino]-3-phenyl-1H-1,2,4-triazole-5-thione
CID 167924490

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-[1-[(E)-benzylideneamino]-4-phenylimidazol-2-yl]iminomethyl]-4,6-dibromophenol?
The IUPAC name of 2-[(E)-[1-[(E)-benzylideneamino]-4-phenylimidazol-2-yl]iminomethyl]-4,6-dibromophenol (CID 135549453) is 2-[(E)-[1-[(E)-benzylideneamino]-4-phenylimidazol-2-yl]iminomethyl]-4,6-dibromophenol.
What is the SMILES notation for 2-[(E)-[1-[(E)-benzylideneamino]-4-phenylimidazol-2-yl]iminomethyl]-4,6-dibromophenol?
The canonical SMILES for 2-[(E)-[1-[(E)-benzylideneamino]-4-phenylimidazol-2-yl]iminomethyl]-4,6-dibromophenol is Oc1c(Br)cc(Br)cc1/C=N/c1nc(-c2ccccc2)cn1/N=C/c1ccccc1.
What is the InChIKey of 2-[(E)-[1-[(E)-benzylideneamino]-4-phenylimidazol-2-yl]iminomethyl]-4,6-dibromophenol?
The InChIKey is GUZYPJLSBZNGOB-XOLIDWHGSA-N. The full InChI is InChI=1S/C23H16Br2N4O/c24-19-11-18(22(30)20(25)12-19)14-26-23-28-21(17-9-5-2-6-10-17)15-29(23)27-13-16-7-3-1-4-8-16/h1-15,30H/b26-14+,27-13+.
What are the key properties of 2-[(E)-[1-[(E)-benzylideneamino]-4-phenylimidazol-2-yl]iminomethyl]-4,6-dibromophenol?
2-[(E)-[1-[(E)-benzylideneamino]-4-phenylimidazol-2-yl]iminomethyl]-4,6-dibromophenol has a molecular weight of 524.22 g/mol, XLogP of 6.41, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-[1-[(E)-benzylideneamino]-4-phenylimidazol-2-yl]iminomethyl]-4,6-dibromophenol is sourced from PubChem (CID 135549453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).