2-[(E)-1H-benzimidazol-2-yliminomethyl]-4,6-dibromophenol

C14H9Br2N3O — CID 139085246

IUPAC2-[(E)-1H-benzimidazol-2-yliminomethyl]-4,6-dibromophenol
SMILESOc1c(Br)cc(Br)cc1/C=N/c1nc2ccccc2[nH]1
InChIInChI=1S/C14H9Br2N3O/c15-9-5-8(13(20)10(16)6-9)7-17-14-18-11-3-1-2-4-12(11)19-14/h1-7,20H,(H,18,19)/b17-7+
InChIKeyYVDDYDKTQQRTMA-REZTVBANSA-N
MW395.05 g/mol
LogP4.54
Rot. Bonds2

About 2-[(E)-1H-benzimidazol-2-yliminomethyl]-4,6-dibromophenol

2-[(E)-1H-benzimidazol-2-yliminomethyl]-4,6-dibromophenol (PubChem CID 139085246) has the molecular formula C14H9Br2N3O and a molecular weight of 395.05 g/mol. Its IUPAC name is 2-[(E)-1H-benzimidazol-2-yliminomethyl]-4,6-dibromophenol.

Molecular Properties

Compound Name2-[(E)-1H-benzimidazol-2-yliminomethyl]-4,6-dibromophenol
PubChem CID139085246
Molecular FormulaC14H9Br2N3O
Molecular Weight395.05 g/mol
Exact Mass392.91
IUPAC Name2-[(E)-1H-benzimidazol-2-yliminomethyl]-4,6-dibromophenol
SMILESOc1c(Br)cc(Br)cc1/C=N/c1nc2ccccc2[nH]1
InChIInChI=1S/C14H9Br2N3O/c15-9-5-8(13(20)10(16)6-9)7-17-14-18-11-3-1-2-4-12(11)19-14/h1-7,20H,(H,18,19)/b17-7+
InChIKeyYVDDYDKTQQRTMA-REZTVBANSA-N
XLogP4.54
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.05
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2,4-dibromo-6-[(E)-pyridin-2-yliminomethyl]phenol
CID 135458806
2-[[2-(1H-benzimidazol-2-yl)phenyl]iminomethyl]-4-bromophenol
CID 5140596
2,4-dibromo-6-[(3-bromophenyl)iminomethyl]phenol
CID 1286585
2-[[3-(1,3-benzothiazol-2-yl)-4-hydroxyphenyl]iminomethyl]-4,6-dibromophenol
CID 4029945
2,4-dibromo-6-[(2,6-dimethylphenyl)iminomethyl]phenol
CID 135501673
N-(1H-benzimidazol-2-yl)-1-[5-(4-bromophenyl)furan-2-yl]methanimine
CID 23908299
2,4-dibromo-6-[(E)-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylidenehydrazinylidene]methyl]phenol
CID 135459439
2-[[3-(1,3-benzoxazol-2-yl)-2-methylphenyl]iminomethyl]-4,6-dibromophenol
CID 3923532
4-(1H-benzimidazol-2-yl)-2,6-dibromobenzene-1,3-diol
CID 136781810
2-[[3-(1H-benzimidazol-2-yl)phenyl]iminomethyl]phenol
CID 682053
2-[[1-[(Z)-benzylideneamino]-4,5-diphenylimidazol-2-yl]iminomethyl]-4,6-dibromophenol
CID 136695932
2-[(E)-(benzhydrylidenehydrazinylidene)methyl]-4,6-dibromophenol
CID 135675783

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-1H-benzimidazol-2-yliminomethyl]-4,6-dibromophenol?
The IUPAC name of 2-[(E)-1H-benzimidazol-2-yliminomethyl]-4,6-dibromophenol (CID 139085246) is 2-[(E)-1H-benzimidazol-2-yliminomethyl]-4,6-dibromophenol.
What is the SMILES notation for 2-[(E)-1H-benzimidazol-2-yliminomethyl]-4,6-dibromophenol?
The canonical SMILES for 2-[(E)-1H-benzimidazol-2-yliminomethyl]-4,6-dibromophenol is Oc1c(Br)cc(Br)cc1/C=N/c1nc2ccccc2[nH]1.
What is the InChIKey of 2-[(E)-1H-benzimidazol-2-yliminomethyl]-4,6-dibromophenol?
The InChIKey is YVDDYDKTQQRTMA-REZTVBANSA-N. The full InChI is InChI=1S/C14H9Br2N3O/c15-9-5-8(13(20)10(16)6-9)7-17-14-18-11-3-1-2-4-12(11)19-14/h1-7,20H,(H,18,19)/b17-7+.
What are the key properties of 2-[(E)-1H-benzimidazol-2-yliminomethyl]-4,6-dibromophenol?
2-[(E)-1H-benzimidazol-2-yliminomethyl]-4,6-dibromophenol has a molecular weight of 395.05 g/mol, XLogP of 4.54, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-1H-benzimidazol-2-yliminomethyl]-4,6-dibromophenol is sourced from PubChem (CID 139085246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).