2-[[2-(1H-benzimidazol-2-yl)phenyl]iminomethyl]-4-bromophenol

C20H14BrN3O — CID 5140596

IUPAC2-[[2-(1H-benzimidazol-2-yl)phenyl]iminomethyl]-4-bromophenol
SMILESOc1ccc(Br)cc1/C=N/c1ccccc1-c1nc2ccccc2[nH]1
InChIInChI=1S/C20H14BrN3O/c21-14-9-10-19(25)13(11-14)12-22-16-6-2-1-5-15(16)20-23-17-7-3-4-8-18(17)24-20/h1-12,25H,(H,23,24)/b22-12+
InChIKeyJELBXPXHOMDHRJ-WSDLNYQXSA-N
MW392.26 g/mol
LogP5.45
Rot. Bonds3

About 2-[[2-(1H-benzimidazol-2-yl)phenyl]iminomethyl]-4-bromophenol

2-[[2-(1H-benzimidazol-2-yl)phenyl]iminomethyl]-4-bromophenol (PubChem CID 5140596) has the molecular formula C20H14BrN3O and a molecular weight of 392.26 g/mol. Its IUPAC name is 2-[[2-(1H-benzimidazol-2-yl)phenyl]iminomethyl]-4-bromophenol.

Molecular Properties

Compound Name2-[[2-(1H-benzimidazol-2-yl)phenyl]iminomethyl]-4-bromophenol
PubChem CID5140596
Molecular FormulaC20H14BrN3O
Molecular Weight392.26 g/mol
Exact Mass391.03
IUPAC Name2-[[2-(1H-benzimidazol-2-yl)phenyl]iminomethyl]-4-bromophenol
SMILESOc1ccc(Br)cc1/C=N/c1ccccc1-c1nc2ccccc2[nH]1
InChIInChI=1S/C20H14BrN3O/c21-14-9-10-19(25)13(11-14)12-22-16-6-2-1-5-15(16)20-23-17-7-3-4-8-18(17)24-20/h1-12,25H,(H,23,24)/b22-12+
InChIKeyJELBXPXHOMDHRJ-WSDLNYQXSA-N
XLogP5.45
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.26
LogP ≤ 55.45
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-[[2-(1H-benzimidazol-2-yl)phenyl]iminomethyl]-4-[(4-nitrophenyl)diazenyl]phenol
CID 177450636
N-[2-(1H-benzimidazol-2-yl)phenyl]-1-pyridin-3-ylmethanimine
CID 917406
(1Z,3E)-5-[2-(1H-benzimidazol-2-yl)phenyl]iminopenta-1,3-dien-1-amine
CID 121287803
2-[(E)-1H-benzimidazol-2-yliminomethyl]-4,6-dibromophenol
CID 139085246
2-[[3-(1H-benzimidazol-2-yl)phenyl]iminomethyl]phenol
CID 682053
4-bromo-2-[[2-[[2-[(5-bromo-2-hydroxyphenyl)methylideneamino]phenyl]disulfanyl]phenyl]iminomethyl]phenol
CID 136825488
N-[(5-bromo-2-hydroxyphenyl)methylideneamino]-N'-phenyl-1H-benzimidazole-2-carboximidamide
CID 5230324
1-[(5-bromo-2-hydroxyphenyl)methylideneamino]anthracene-9,10-dione
CID 136880936
2-(2-bromophenyl)-3H-benzimidazol-5-ol
CID 81431199
6-bromo-2-(2-chlorophenyl)-1H-benzimidazole
CID 64723542
4-(1H-benzimidazol-2-yl)-2-bromophenol
CID 159596714
6-bromo-2-(2-methylphenyl)-1H-benzimidazole
CID 64723328

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(1H-benzimidazol-2-yl)phenyl]iminomethyl]-4-bromophenol?
The IUPAC name of 2-[[2-(1H-benzimidazol-2-yl)phenyl]iminomethyl]-4-bromophenol (CID 5140596) is 2-[[2-(1H-benzimidazol-2-yl)phenyl]iminomethyl]-4-bromophenol.
What is the SMILES notation for 2-[[2-(1H-benzimidazol-2-yl)phenyl]iminomethyl]-4-bromophenol?
The canonical SMILES for 2-[[2-(1H-benzimidazol-2-yl)phenyl]iminomethyl]-4-bromophenol is Oc1ccc(Br)cc1/C=N/c1ccccc1-c1nc2ccccc2[nH]1.
What is the InChIKey of 2-[[2-(1H-benzimidazol-2-yl)phenyl]iminomethyl]-4-bromophenol?
The InChIKey is JELBXPXHOMDHRJ-WSDLNYQXSA-N. The full InChI is InChI=1S/C20H14BrN3O/c21-14-9-10-19(25)13(11-14)12-22-16-6-2-1-5-15(16)20-23-17-7-3-4-8-18(17)24-20/h1-12,25H,(H,23,24)/b22-12+.
What are the key properties of 2-[[2-(1H-benzimidazol-2-yl)phenyl]iminomethyl]-4-bromophenol?
2-[[2-(1H-benzimidazol-2-yl)phenyl]iminomethyl]-4-bromophenol has a molecular weight of 392.26 g/mol, XLogP of 5.45, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(1H-benzimidazol-2-yl)phenyl]iminomethyl]-4-bromophenol is sourced from PubChem (CID 5140596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).