bis(2-(1H-benzimidazol-2-yl)-4,6-dibromophenolate);nickel(2+)

C26H14Br4N4NiO2 — CID 139072906

IUPACbis(2-(1H-benzimidazol-2-yl)-4,6-dibromophenolate);nickel(2+)
SMILES[Ni+2].[O-]c1c(Br)cc(Br)cc1-c1nc2ccccc2[nH]1.[O-]c1c(Br)cc(Br)cc1-c1nc2ccccc2[nH]1
InChIInChI=1S/2C13H8Br2N2O.Ni/c2*14-7-5-8(12(18)9(15)6-7)13-16-10-3-1-2-4-11(10)17-13;/h2*1-6,18H,(H,16,17);/q;;+2/p-2
InChIKeyHHZQAXATYMACSI-UHFFFAOYSA-L
MW792.73 g/mol
LogP7.65
Rot. Bonds2

About bis(2-(1H-benzimidazol-2-yl)-4,6-dibromophenolate);nickel(2+)

bis(2-(1H-benzimidazol-2-yl)-4,6-dibromophenolate);nickel(2+) (PubChem CID 139072906) has the molecular formula C26H14Br4N4NiO2 and a molecular weight of 792.73 g/mol. Its IUPAC name is bis(2-(1H-benzimidazol-2-yl)-4,6-dibromophenolate);nickel(2+).

Molecular Properties

Compound Namebis(2-(1H-benzimidazol-2-yl)-4,6-dibromophenolate);nickel(2+)
PubChem CID139072906
Molecular FormulaC26H14Br4N4NiO2
Molecular Weight792.73 g/mol
Exact Mass787.72
IUPAC Namebis(2-(1H-benzimidazol-2-yl)-4,6-dibromophenolate);nickel(2+)
SMILES[Ni+2].[O-]c1c(Br)cc(Br)cc1-c1nc2ccccc2[nH]1.[O-]c1c(Br)cc(Br)cc1-c1nc2ccccc2[nH]1
InChIInChI=1S/2C13H8Br2N2O.Ni/c2*14-7-5-8(12(18)9(15)6-7)13-16-10-3-1-2-4-11(10)17-13;/h2*1-6,18H,(H,16,17);/q;;+2/p-2
InChIKeyHHZQAXATYMACSI-UHFFFAOYSA-L
XLogP7.65
TPSA103.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500792.73
LogP ≤ 57.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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6-bromo-2-(2,4-dibromophenyl)-1H-benzimidazole
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Frequently Asked Questions

What is the IUPAC name of bis(2-(1H-benzimidazol-2-yl)-4,6-dibromophenolate);nickel(2+)?
The IUPAC name of bis(2-(1H-benzimidazol-2-yl)-4,6-dibromophenolate);nickel(2+) (CID 139072906) is bis(2-(1H-benzimidazol-2-yl)-4,6-dibromophenolate);nickel(2+).
What is the SMILES notation for bis(2-(1H-benzimidazol-2-yl)-4,6-dibromophenolate);nickel(2+)?
The canonical SMILES for bis(2-(1H-benzimidazol-2-yl)-4,6-dibromophenolate);nickel(2+) is [Ni+2].[O-]c1c(Br)cc(Br)cc1-c1nc2ccccc2[nH]1.[O-]c1c(Br)cc(Br)cc1-c1nc2ccccc2[nH]1.
What is the InChIKey of bis(2-(1H-benzimidazol-2-yl)-4,6-dibromophenolate);nickel(2+)?
The InChIKey is HHZQAXATYMACSI-UHFFFAOYSA-L. The full InChI is InChI=1S/2C13H8Br2N2O.Ni/c2*14-7-5-8(12(18)9(15)6-7)13-16-10-3-1-2-4-11(10)17-13;/h2*1-6,18H,(H,16,17);/q;;+2/p-2.
What are the key properties of bis(2-(1H-benzimidazol-2-yl)-4,6-dibromophenolate);nickel(2+)?
bis(2-(1H-benzimidazol-2-yl)-4,6-dibromophenolate);nickel(2+) has a molecular weight of 792.73 g/mol, XLogP of 7.65, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-(1H-benzimidazol-2-yl)-4,6-dibromophenolate);nickel(2+) is sourced from PubChem (CID 139072906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).