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

C23H16BrN5O3 — CID 136904755

IUPAC4-bromo-2-[[1-[(Z)-(3-nitrophenyl)methylideneamino]-4-phenylimidazol-2-yl]iminomethyl]phenol
SMILESO=[N+]([O-])c1cccc(/C=N\n2cc(-c3ccccc3)nc2N=Cc2cc(Br)ccc2O)c1
InChIInChI=1S/C23H16BrN5O3/c24-19-9-10-22(30)18(12-19)14-25-23-27-21(17-6-2-1-3-7-17)15-28(23)26-13-16-5-4-8-20(11-16)29(31)32/h1-15,30H/b25-14?,26-13-
InChIKeyWGJPFOHQWNTGJG-UYEAUGOASA-N
MW490.32 g/mol
LogP5.56
Rot. Bonds6

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

4-bromo-2-[[1-[(Z)-(3-nitrophenyl)methylideneamino]-4-phenylimidazol-2-yl]iminomethyl]phenol (PubChem CID 136904755) has the molecular formula C23H16BrN5O3 and a molecular weight of 490.32 g/mol. Its IUPAC name is 4-bromo-2-[[1-[(Z)-(3-nitrophenyl)methylideneamino]-4-phenylimidazol-2-yl]iminomethyl]phenol.

Molecular Properties

Compound Name4-bromo-2-[[1-[(Z)-(3-nitrophenyl)methylideneamino]-4-phenylimidazol-2-yl]iminomethyl]phenol
PubChem CID136904755
Molecular FormulaC23H16BrN5O3
Molecular Weight490.32 g/mol
Exact Mass489.04
IUPAC Name4-bromo-2-[[1-[(Z)-(3-nitrophenyl)methylideneamino]-4-phenylimidazol-2-yl]iminomethyl]phenol
SMILESO=[N+]([O-])c1cccc(/C=N\n2cc(-c3ccccc3)nc2N=Cc2cc(Br)ccc2O)c1
InChIInChI=1S/C23H16BrN5O3/c24-19-9-10-22(30)18(12-19)14-25-23-27-21(17-6-2-1-3-7-17)15-28(23)26-13-16-5-4-8-20(11-16)29(31)32/h1-15,30H/b25-14?,26-13-
InChIKeyWGJPFOHQWNTGJG-UYEAUGOASA-N
XLogP5.56
TPSA105.91 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.32
LogP ≤ 55.56
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

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-[(E)-[1-[(E)-benzylideneamino]-4-phenylimidazol-2-yl]iminomethyl]-4,6-dibromophenol
CID 135549453
4-(3-nitrophenyl)-1-[(3-nitrophenyl)methylideneamino]imidazol-2-amine
CID 23768461
4-nitro-2-[(E)-(4-phenyl-1,3-thiazol-2-yl)iminomethyl]phenol
CID 135505166
2-[(1,3-diphenylpyrazol-5-yl)iminomethyl]-4-nitrophenol
CID 4520619
4-[[2-amino-4-(3-nitrophenyl)imidazol-1-yl]iminomethyl]-2-bromo-6-methoxyphenol
CID 135839048
2-[(2-anilino-5-nitrophenyl)iminomethyl]-4-bromophenol
CID 135764877
2-[[4-(3-bromophenyl)-5-methyl-1H-pyrazol-3-yl]iminomethyl]-4-nitrophenol
CID 135814718
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-bromophenyl)-N-[(3-nitrophenyl)methylideneamino]quinoline-4-carboxamide
CID 2337421

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-[[1-[(Z)-(3-nitrophenyl)methylideneamino]-4-phenylimidazol-2-yl]iminomethyl]phenol?
The IUPAC name of 4-bromo-2-[[1-[(Z)-(3-nitrophenyl)methylideneamino]-4-phenylimidazol-2-yl]iminomethyl]phenol (CID 136904755) is 4-bromo-2-[[1-[(Z)-(3-nitrophenyl)methylideneamino]-4-phenylimidazol-2-yl]iminomethyl]phenol.
What is the SMILES notation for 4-bromo-2-[[1-[(Z)-(3-nitrophenyl)methylideneamino]-4-phenylimidazol-2-yl]iminomethyl]phenol?
The canonical SMILES for 4-bromo-2-[[1-[(Z)-(3-nitrophenyl)methylideneamino]-4-phenylimidazol-2-yl]iminomethyl]phenol is O=[N+]([O-])c1cccc(/C=N\n2cc(-c3ccccc3)nc2N=Cc2cc(Br)ccc2O)c1.
What is the InChIKey of 4-bromo-2-[[1-[(Z)-(3-nitrophenyl)methylideneamino]-4-phenylimidazol-2-yl]iminomethyl]phenol?
The InChIKey is WGJPFOHQWNTGJG-UYEAUGOASA-N. The full InChI is InChI=1S/C23H16BrN5O3/c24-19-9-10-22(30)18(12-19)14-25-23-27-21(17-6-2-1-3-7-17)15-28(23)26-13-16-5-4-8-20(11-16)29(31)32/h1-15,30H/b25-14?,26-13-.
What are the key properties of 4-bromo-2-[[1-[(Z)-(3-nitrophenyl)methylideneamino]-4-phenylimidazol-2-yl]iminomethyl]phenol?
4-bromo-2-[[1-[(Z)-(3-nitrophenyl)methylideneamino]-4-phenylimidazol-2-yl]iminomethyl]phenol has a molecular weight of 490.32 g/mol, XLogP of 5.56, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-[[1-[(Z)-(3-nitrophenyl)methylideneamino]-4-phenylimidazol-2-yl]iminomethyl]phenol is sourced from PubChem (CID 136904755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).