2-[[1-[(Z)-benzylideneamino]-4,5-diphenylimidazol-2-yl]iminomethyl]-4,6-dibromophenol

C29H20Br2N4O — CID 136695932

IUPAC2-[[1-[(Z)-benzylideneamino]-4,5-diphenylimidazol-2-yl]iminomethyl]-4,6-dibromophenol
SMILESOc1c(Br)cc(Br)cc1C=Nc1nc(-c2ccccc2)c(-c2ccccc2)n1/N=C\c1ccccc1
InChIInChI=1S/C29H20Br2N4O/c30-24-16-23(28(36)25(31)17-24)19-32-29-34-26(21-12-6-2-7-13-21)27(22-14-8-3-9-15-22)35(29)33-18-20-10-4-1-5-11-20/h1-19,36H/b32-19?,33-18-
InChIKeyAQEBDDSQDJYGID-ODQHLFMESA-N
MW600.31 g/mol
LogP8.08
Rot. Bonds6

About 2-[[1-[(Z)-benzylideneamino]-4,5-diphenylimidazol-2-yl]iminomethyl]-4,6-dibromophenol

2-[[1-[(Z)-benzylideneamino]-4,5-diphenylimidazol-2-yl]iminomethyl]-4,6-dibromophenol (PubChem CID 136695932) has the molecular formula C29H20Br2N4O and a molecular weight of 600.31 g/mol. Its IUPAC name is 2-[[1-[(Z)-benzylideneamino]-4,5-diphenylimidazol-2-yl]iminomethyl]-4,6-dibromophenol.

Molecular Properties

Compound Name2-[[1-[(Z)-benzylideneamino]-4,5-diphenylimidazol-2-yl]iminomethyl]-4,6-dibromophenol
PubChem CID136695932
Molecular FormulaC29H20Br2N4O
Molecular Weight600.31 g/mol
Exact Mass598.00
IUPAC Name2-[[1-[(Z)-benzylideneamino]-4,5-diphenylimidazol-2-yl]iminomethyl]-4,6-dibromophenol
SMILESOc1c(Br)cc(Br)cc1C=Nc1nc(-c2ccccc2)c(-c2ccccc2)n1/N=C\c1ccccc1
InChIInChI=1S/C29H20Br2N4O/c30-24-16-23(28(36)25(31)17-24)19-32-29-34-26(21-12-6-2-7-13-21)27(22-14-8-3-9-15-22)35(29)33-18-20-10-4-1-5-11-20/h1-19,36H/b32-19?,33-18-
InChIKeyAQEBDDSQDJYGID-ODQHLFMESA-N
XLogP8.08
TPSA62.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500600.31
LogP ≤ 58.08
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-[(E)-[1-[(E)-benzylideneamino]-4-phenylimidazol-2-yl]iminomethyl]-4,6-dibromophenol
CID 135549453
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
2,4-dibromo-6-[[1-[(Z)-(3-nitrophenyl)methylideneamino]-4-phenylimidazol-2-yl]iminomethyl]phenol
CID 136861896
2-[(E)-1H-benzimidazol-2-yliminomethyl]-4,6-dibromophenol
CID 139085246
4-bromo-2-[(E)-[1-[(E)-(4-methoxyphenyl)methylideneamino]-4-phenylimidazol-2-yl]iminomethyl]phenol
CID 135549450
2,4-dibromo-6-[(E)-pyridin-2-yliminomethyl]phenol
CID 135458806
4-[(E)-(3-bromo-2,5-dihydroxyphenyl)methylideneamino]-3-phenyl-1H-1,2,4-triazole-5-thione
CID 167924490
4-[(Z)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-3-(4-fluorophenyl)-1H-1,2,4-triazole-5-thione
CID 136739210
N-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-2-phenylquinoline-4-carboxamide
CID 4504170
2,4-dibromo-6-[(3-bromophenyl)iminomethyl]phenol
CID 1286585
2-[(E)-(benzhydrylidenehydrazinylidene)methyl]-4,6-dibromophenol
CID 135675783

Frequently Asked Questions

What is the IUPAC name of 2-[[1-[(Z)-benzylideneamino]-4,5-diphenylimidazol-2-yl]iminomethyl]-4,6-dibromophenol?
The IUPAC name of 2-[[1-[(Z)-benzylideneamino]-4,5-diphenylimidazol-2-yl]iminomethyl]-4,6-dibromophenol (CID 136695932) is 2-[[1-[(Z)-benzylideneamino]-4,5-diphenylimidazol-2-yl]iminomethyl]-4,6-dibromophenol.
What is the SMILES notation for 2-[[1-[(Z)-benzylideneamino]-4,5-diphenylimidazol-2-yl]iminomethyl]-4,6-dibromophenol?
The canonical SMILES for 2-[[1-[(Z)-benzylideneamino]-4,5-diphenylimidazol-2-yl]iminomethyl]-4,6-dibromophenol is Oc1c(Br)cc(Br)cc1C=Nc1nc(-c2ccccc2)c(-c2ccccc2)n1/N=C\c1ccccc1.
What is the InChIKey of 2-[[1-[(Z)-benzylideneamino]-4,5-diphenylimidazol-2-yl]iminomethyl]-4,6-dibromophenol?
The InChIKey is AQEBDDSQDJYGID-ODQHLFMESA-N. The full InChI is InChI=1S/C29H20Br2N4O/c30-24-16-23(28(36)25(31)17-24)19-32-29-34-26(21-12-6-2-7-13-21)27(22-14-8-3-9-15-22)35(29)33-18-20-10-4-1-5-11-20/h1-19,36H/b32-19?,33-18-.
What are the key properties of 2-[[1-[(Z)-benzylideneamino]-4,5-diphenylimidazol-2-yl]iminomethyl]-4,6-dibromophenol?
2-[[1-[(Z)-benzylideneamino]-4,5-diphenylimidazol-2-yl]iminomethyl]-4,6-dibromophenol has a molecular weight of 600.31 g/mol, XLogP of 8.08, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-[(Z)-benzylideneamino]-4,5-diphenylimidazol-2-yl]iminomethyl]-4,6-dibromophenol is sourced from PubChem (CID 136695932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).