4-bromo-2-[(E)-[1-[(E)-(4-methoxyphenyl)methylideneamino]-4-phenylimidazol-2-yl]iminomethyl]phenol

C24H19BrN4O2 — CID 135549450

IUPAC4-bromo-2-[(E)-[1-[(E)-(4-methoxyphenyl)methylideneamino]-4-phenylimidazol-2-yl]iminomethyl]phenol
SMILESCOc1ccc(/C=N/n2cc(-c3ccccc3)nc2/N=C/c2cc(Br)ccc2O)cc1
InChIInChI=1S/C24H19BrN4O2/c1-31-21-10-7-17(8-11-21)14-27-29-16-22(18-5-3-2-4-6-18)28-24(29)26-15-19-13-20(25)9-12-23(19)30/h2-16,30H,1H3/b26-15+,27-14+
InChIKeyOSNRWQQUEDHMDV-BOHSUASASA-N
MW475.35 g/mol
LogP5.66
Rot. Bonds6

About 4-bromo-2-[(E)-[1-[(E)-(4-methoxyphenyl)methylideneamino]-4-phenylimidazol-2-yl]iminomethyl]phenol

4-bromo-2-[(E)-[1-[(E)-(4-methoxyphenyl)methylideneamino]-4-phenylimidazol-2-yl]iminomethyl]phenol (PubChem CID 135549450) has the molecular formula C24H19BrN4O2 and a molecular weight of 475.35 g/mol. Its IUPAC name is 4-bromo-2-[(E)-[1-[(E)-(4-methoxyphenyl)methylideneamino]-4-phenylimidazol-2-yl]iminomethyl]phenol.

Molecular Properties

Compound Name4-bromo-2-[(E)-[1-[(E)-(4-methoxyphenyl)methylideneamino]-4-phenylimidazol-2-yl]iminomethyl]phenol
PubChem CID135549450
Molecular FormulaC24H19BrN4O2
Molecular Weight475.35 g/mol
Exact Mass474.07
IUPAC Name4-bromo-2-[(E)-[1-[(E)-(4-methoxyphenyl)methylideneamino]-4-phenylimidazol-2-yl]iminomethyl]phenol
SMILESCOc1ccc(/C=N/n2cc(-c3ccccc3)nc2/N=C/c2cc(Br)ccc2O)cc1
InChIInChI=1S/C24H19BrN4O2/c1-31-21-10-7-17(8-11-21)14-27-29-16-22(18-5-3-2-4-6-18)28-24(29)26-15-19-13-20(25)9-12-23(19)30/h2-16,30H,1H3/b26-15+,27-14+
InChIKeyOSNRWQQUEDHMDV-BOHSUASASA-N
XLogP5.66
TPSA72.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.35
LogP ≤ 55.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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
4-bromo-2-[[1-[(Z)-(3-nitrophenyl)methylideneamino]-4-phenylimidazol-2-yl]iminomethyl]phenol
CID 136904755
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
2-[1-[(Z)-(4-methoxyphenyl)methylideneamino]-4-phenylimidazol-2-yl]sulfanyl-1-phenylethanone
CID 6029328
4-(4-methoxyphenyl)-1-[(Z)-(4-methoxyphenyl)methylideneamino]imidazol-2-amine
CID 5403460
bis(4-bromo-2-[(E)-(4-phenyl-1,3-thiazol-2-yl)iminomethyl]phenol);nickel
CID 135539795
4-(4-bromophenyl)-N-[(4-methoxyphenyl)methylideneamino]-6-phenylpyrimidin-2-amine
CID 3092304
4-bromo-2-[(Z)-[(4,6-diphenylpyrimidin-2-yl)-methylhydrazinylidene]methyl]phenol
CID 135421596
2-[[2-[(2-hydroxy-5-phenylphenyl)methylideneamino]-4-methoxyphenyl]iminomethyl]-4-phenylphenol
CID 137076335
2-[[1-[(Z)-benzylideneamino]-4,5-diphenylimidazol-2-yl]iminomethyl]-4,6-dibromophenol
CID 136695932

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-[(E)-[1-[(E)-(4-methoxyphenyl)methylideneamino]-4-phenylimidazol-2-yl]iminomethyl]phenol?
The IUPAC name of 4-bromo-2-[(E)-[1-[(E)-(4-methoxyphenyl)methylideneamino]-4-phenylimidazol-2-yl]iminomethyl]phenol (CID 135549450) is 4-bromo-2-[(E)-[1-[(E)-(4-methoxyphenyl)methylideneamino]-4-phenylimidazol-2-yl]iminomethyl]phenol.
What is the SMILES notation for 4-bromo-2-[(E)-[1-[(E)-(4-methoxyphenyl)methylideneamino]-4-phenylimidazol-2-yl]iminomethyl]phenol?
The canonical SMILES for 4-bromo-2-[(E)-[1-[(E)-(4-methoxyphenyl)methylideneamino]-4-phenylimidazol-2-yl]iminomethyl]phenol is COc1ccc(/C=N/n2cc(-c3ccccc3)nc2/N=C/c2cc(Br)ccc2O)cc1.
What is the InChIKey of 4-bromo-2-[(E)-[1-[(E)-(4-methoxyphenyl)methylideneamino]-4-phenylimidazol-2-yl]iminomethyl]phenol?
The InChIKey is OSNRWQQUEDHMDV-BOHSUASASA-N. The full InChI is InChI=1S/C24H19BrN4O2/c1-31-21-10-7-17(8-11-21)14-27-29-16-22(18-5-3-2-4-6-18)28-24(29)26-15-19-13-20(25)9-12-23(19)30/h2-16,30H,1H3/b26-15+,27-14+.
What are the key properties of 4-bromo-2-[(E)-[1-[(E)-(4-methoxyphenyl)methylideneamino]-4-phenylimidazol-2-yl]iminomethyl]phenol?
4-bromo-2-[(E)-[1-[(E)-(4-methoxyphenyl)methylideneamino]-4-phenylimidazol-2-yl]iminomethyl]phenol has a molecular weight of 475.35 g/mol, XLogP of 5.66, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-[(E)-[1-[(E)-(4-methoxyphenyl)methylideneamino]-4-phenylimidazol-2-yl]iminomethyl]phenol is sourced from PubChem (CID 135549450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).