2,4-dibromo-6-[[4-phenyl-1-[(Z)-1-phenylethylideneamino]imidazol-2-yl]iminomethyl]phenol

C24H18Br2N4O — CID 136782848

IUPAC2,4-dibromo-6-[[4-phenyl-1-[(Z)-1-phenylethylideneamino]imidazol-2-yl]iminomethyl]phenol
SMILESC/C(=N/n1cc(-c2ccccc2)nc1N=Cc1cc(Br)cc(Br)c1O)c1ccccc1
InChIInChI=1S/C24H18Br2N4O/c1-16(17-8-4-2-5-9-17)29-30-15-22(18-10-6-3-7-11-18)28-24(30)27-14-19-12-20(25)13-21(26)23(19)31/h2-15,31H,1H3/b27-14?,29-16-
InChIKeyMMQUHDZNGUPWCL-HZYGWMSHSA-N
MW538.24 g/mol
LogP6.80
Rot. Bonds5

About 2,4-dibromo-6-[[4-phenyl-1-[(Z)-1-phenylethylideneamino]imidazol-2-yl]iminomethyl]phenol

2,4-dibromo-6-[[4-phenyl-1-[(Z)-1-phenylethylideneamino]imidazol-2-yl]iminomethyl]phenol (PubChem CID 136782848) has the molecular formula C24H18Br2N4O and a molecular weight of 538.24 g/mol. Its IUPAC name is 2,4-dibromo-6-[[4-phenyl-1-[(Z)-1-phenylethylideneamino]imidazol-2-yl]iminomethyl]phenol.

Molecular Properties

Compound Name2,4-dibromo-6-[[4-phenyl-1-[(Z)-1-phenylethylideneamino]imidazol-2-yl]iminomethyl]phenol
PubChem CID136782848
Molecular FormulaC24H18Br2N4O
Molecular Weight538.24 g/mol
Exact Mass535.98
IUPAC Name2,4-dibromo-6-[[4-phenyl-1-[(Z)-1-phenylethylideneamino]imidazol-2-yl]iminomethyl]phenol
SMILESC/C(=N/n1cc(-c2ccccc2)nc1N=Cc1cc(Br)cc(Br)c1O)c1ccccc1
InChIInChI=1S/C24H18Br2N4O/c1-16(17-8-4-2-5-9-17)29-30-15-22(18-10-6-3-7-11-18)28-24(30)27-14-19-12-20(25)13-21(26)23(19)31/h2-15,31H,1H3/b27-14?,29-16-
InChIKeyMMQUHDZNGUPWCL-HZYGWMSHSA-N
XLogP6.80
TPSA62.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500538.24
LogP ≤ 56.80
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-[(E)-[4-phenyl-1-[(E)-1-phenylethylideneamino]imidazol-2-yl]iminomethyl]phenol
CID 135541788
2-[(E)-[1-[(E)-benzylideneamino]-4-phenylimidazol-2-yl]iminomethyl]-4,6-dibromophenol
CID 135549453
2,4-dibromo-6-[[1-[(Z)-(3-nitrophenyl)methylideneamino]-4-phenylimidazol-2-yl]iminomethyl]phenol
CID 136861896
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
2,4-dibromo-6-[(2,6-dimethylphenyl)iminomethyl]phenol
CID 135501673
2-[(E)-(benzhydrylidenehydrazinylidene)methyl]-4,6-dibromophenol
CID 135675783
N-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-3-(4-phenylphenyl)-1H-pyrazole-5-carboxamide
CID 135851245
2-[(E)-1H-benzimidazol-2-yliminomethyl]-4,6-dibromophenol
CID 139085246
N-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-2-phenylquinoline-4-carboxamide
CID 4504170

Frequently Asked Questions

What is the IUPAC name of 2,4-dibromo-6-[[4-phenyl-1-[(Z)-1-phenylethylideneamino]imidazol-2-yl]iminomethyl]phenol?
The IUPAC name of 2,4-dibromo-6-[[4-phenyl-1-[(Z)-1-phenylethylideneamino]imidazol-2-yl]iminomethyl]phenol (CID 136782848) is 2,4-dibromo-6-[[4-phenyl-1-[(Z)-1-phenylethylideneamino]imidazol-2-yl]iminomethyl]phenol.
What is the SMILES notation for 2,4-dibromo-6-[[4-phenyl-1-[(Z)-1-phenylethylideneamino]imidazol-2-yl]iminomethyl]phenol?
The canonical SMILES for 2,4-dibromo-6-[[4-phenyl-1-[(Z)-1-phenylethylideneamino]imidazol-2-yl]iminomethyl]phenol is C/C(=N/n1cc(-c2ccccc2)nc1N=Cc1cc(Br)cc(Br)c1O)c1ccccc1.
What is the InChIKey of 2,4-dibromo-6-[[4-phenyl-1-[(Z)-1-phenylethylideneamino]imidazol-2-yl]iminomethyl]phenol?
The InChIKey is MMQUHDZNGUPWCL-HZYGWMSHSA-N. The full InChI is InChI=1S/C24H18Br2N4O/c1-16(17-8-4-2-5-9-17)29-30-15-22(18-10-6-3-7-11-18)28-24(30)27-14-19-12-20(25)13-21(26)23(19)31/h2-15,31H,1H3/b27-14?,29-16-.
What are the key properties of 2,4-dibromo-6-[[4-phenyl-1-[(Z)-1-phenylethylideneamino]imidazol-2-yl]iminomethyl]phenol?
2,4-dibromo-6-[[4-phenyl-1-[(Z)-1-phenylethylideneamino]imidazol-2-yl]iminomethyl]phenol has a molecular weight of 538.24 g/mol, XLogP of 6.80, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dibromo-6-[[4-phenyl-1-[(Z)-1-phenylethylideneamino]imidazol-2-yl]iminomethyl]phenol is sourced from PubChem (CID 136782848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).