2,4-dibromo-6-[[1-[(Z)-(3-nitrophenyl)methylideneamino]-4-phenylimidazol-2-yl]iminomethyl]phenol

C23H15Br2N5O3 — CID 136861896

IUPAC2,4-dibromo-6-[[1-[(Z)-(3-nitrophenyl)methylideneamino]-4-phenylimidazol-2-yl]iminomethyl]phenol
SMILESO=[N+]([O-])c1cccc(/C=N\n2cc(-c3ccccc3)nc2N=Cc2cc(Br)cc(Br)c2O)c1
InChIInChI=1S/C23H15Br2N5O3/c24-18-10-17(22(31)20(25)11-18)13-26-23-28-21(16-6-2-1-3-7-16)14-29(23)27-12-15-5-4-8-19(9-15)30(32)33/h1-14,31H/b26-13?,27-12-
InChIKeyXSLBTOJNYIJBCL-LUPCTRIOSA-N
MW569.21 g/mol
LogP6.32
Rot. Bonds6

About 2,4-dibromo-6-[[1-[(Z)-(3-nitrophenyl)methylideneamino]-4-phenylimidazol-2-yl]iminomethyl]phenol

2,4-dibromo-6-[[1-[(Z)-(3-nitrophenyl)methylideneamino]-4-phenylimidazol-2-yl]iminomethyl]phenol (PubChem CID 136861896) has the molecular formula C23H15Br2N5O3 and a molecular weight of 569.21 g/mol. Its IUPAC name is 2,4-dibromo-6-[[1-[(Z)-(3-nitrophenyl)methylideneamino]-4-phenylimidazol-2-yl]iminomethyl]phenol.

Molecular Properties

Compound Name2,4-dibromo-6-[[1-[(Z)-(3-nitrophenyl)methylideneamino]-4-phenylimidazol-2-yl]iminomethyl]phenol
PubChem CID136861896
Molecular FormulaC23H15Br2N5O3
Molecular Weight569.21 g/mol
Exact Mass566.95
IUPAC Name2,4-dibromo-6-[[1-[(Z)-(3-nitrophenyl)methylideneamino]-4-phenylimidazol-2-yl]iminomethyl]phenol
SMILESO=[N+]([O-])c1cccc(/C=N\n2cc(-c3ccccc3)nc2N=Cc2cc(Br)cc(Br)c2O)c1
InChIInChI=1S/C23H15Br2N5O3/c24-18-10-17(22(31)20(25)11-18)13-26-23-28-21(16-6-2-1-3-7-16)14-29(23)27-12-15-5-4-8-19(9-15)30(32)33/h1-14,31H/b26-13?,27-12-
InChIKeyXSLBTOJNYIJBCL-LUPCTRIOSA-N
XLogP6.32
TPSA105.91 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500569.21
LogP ≤ 56.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-bromo-2-[[1-[(Z)-(3-nitrophenyl)methylideneamino]-4-phenylimidazol-2-yl]iminomethyl]phenol
CID 136904755
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-[(3-nitrophenyl)iminomethyl]phenol
CID 1286595
4-(3-nitrophenyl)-1-[(3-nitrophenyl)methylideneamino]imidazol-2-amine
CID 23768461
4-bromo-2-[(E)-[1-[(E)-(4-methoxyphenyl)methylideneamino]-4-phenylimidazol-2-yl]iminomethyl]phenol
CID 135549450
4-[[2-amino-4-(3-nitrophenyl)imidazol-1-yl]iminomethyl]-2-bromo-6-methoxyphenol
CID 135839048
2-[[1-[(Z)-benzylideneamino]-4,5-diphenylimidazol-2-yl]iminomethyl]-4,6-dibromophenol
CID 136695932
4-[(E)-(3-bromo-2-hydroxy-5-nitrophenyl)methylideneamino]-3-phenyl-1H-1,2,4-triazole-5-thione
CID 135470794
2,6-dibromo-4-[(2E)-2-[(3-nitrophenyl)methylidene]hydrazinyl]phenol
CID 21204190
[2,4-dibromo-6-[(4-oxo-2-phenylquinazolin-3-yl)iminomethyl]phenyl] (E)-3-(3-nitrophenyl)prop-2-enoate
CID 126143704

Frequently Asked Questions

What is the IUPAC name of 2,4-dibromo-6-[[1-[(Z)-(3-nitrophenyl)methylideneamino]-4-phenylimidazol-2-yl]iminomethyl]phenol?
The IUPAC name of 2,4-dibromo-6-[[1-[(Z)-(3-nitrophenyl)methylideneamino]-4-phenylimidazol-2-yl]iminomethyl]phenol (CID 136861896) is 2,4-dibromo-6-[[1-[(Z)-(3-nitrophenyl)methylideneamino]-4-phenylimidazol-2-yl]iminomethyl]phenol.
What is the SMILES notation for 2,4-dibromo-6-[[1-[(Z)-(3-nitrophenyl)methylideneamino]-4-phenylimidazol-2-yl]iminomethyl]phenol?
The canonical SMILES for 2,4-dibromo-6-[[1-[(Z)-(3-nitrophenyl)methylideneamino]-4-phenylimidazol-2-yl]iminomethyl]phenol is O=[N+]([O-])c1cccc(/C=N\n2cc(-c3ccccc3)nc2N=Cc2cc(Br)cc(Br)c2O)c1.
What is the InChIKey of 2,4-dibromo-6-[[1-[(Z)-(3-nitrophenyl)methylideneamino]-4-phenylimidazol-2-yl]iminomethyl]phenol?
The InChIKey is XSLBTOJNYIJBCL-LUPCTRIOSA-N. The full InChI is InChI=1S/C23H15Br2N5O3/c24-18-10-17(22(31)20(25)11-18)13-26-23-28-21(16-6-2-1-3-7-16)14-29(23)27-12-15-5-4-8-19(9-15)30(32)33/h1-14,31H/b26-13?,27-12-.
What are the key properties of 2,4-dibromo-6-[[1-[(Z)-(3-nitrophenyl)methylideneamino]-4-phenylimidazol-2-yl]iminomethyl]phenol?
2,4-dibromo-6-[[1-[(Z)-(3-nitrophenyl)methylideneamino]-4-phenylimidazol-2-yl]iminomethyl]phenol has a molecular weight of 569.21 g/mol, XLogP of 6.32, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dibromo-6-[[1-[(Z)-(3-nitrophenyl)methylideneamino]-4-phenylimidazol-2-yl]iminomethyl]phenol is sourced from PubChem (CID 136861896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).