bis(1H-benzimidazole);copper;formic acid;dihydrate

C16H20Cu2N4O6 — CID 5259880

IUPACbis(1H-benzimidazole);copper;formic acid;dihydrate
SMILESO.O.O=CO.O=CO.[Cu].[Cu].c1ccc2[nH]cnc2c1.c1ccc2[nH]cnc2c1
InChIInChI=1S/2C7H6N2.2CH2O2.2Cu.2H2O/c2*1-2-4-7-6(3-1)8-5-9-7;2*2-1-3;;;;/h2*1-5H,(H,8,9);2*1H,(H,2,3);;;2*1H2
InChIKeyFFLOJSSIQJILSE-UHFFFAOYSA-N
MW491.45 g/mol
LogP0.87
Rot. Bonds

About bis(1H-benzimidazole);copper;formic acid;dihydrate

bis(1H-benzimidazole);copper;formic acid;dihydrate (PubChem CID 5259880) has the molecular formula C16H20Cu2N4O6 and a molecular weight of 491.45 g/mol. Its IUPAC name is bis(1H-benzimidazole);copper;formic acid;dihydrate.

Molecular Properties

Compound Namebis(1H-benzimidazole);copper;formic acid;dihydrate
PubChem CID5259880
Molecular FormulaC16H20Cu2N4O6
Molecular Weight491.45 g/mol
Exact Mass490.00
IUPAC Namebis(1H-benzimidazole);copper;formic acid;dihydrate
SMILESO.O.O=CO.O=CO.[Cu].[Cu].c1ccc2[nH]cnc2c1.c1ccc2[nH]cnc2c1
InChIInChI=1S/2C7H6N2.2CH2O2.2Cu.2H2O/c2*1-2-4-7-6(3-1)8-5-9-7;2*2-1-3;;;;/h2*1-5H,(H,8,9);2*1H,(H,2,3);;;2*1H2
InChIKeyFFLOJSSIQJILSE-UHFFFAOYSA-N
XLogP0.87
TPSA194.96 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.45
LogP ≤ 50.87
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

bis(1H-benzimidazole);hydrate
CID 23293238
disilver;1H-benzimidazole
CID 21437015
bis(1H-benzimidazole);hydrochloride
CID 163717509
1H-benzimidazole;manganese
CID 158140840
1H-benzimidazole;zinc
CID 162235320
benzaldehyde;1H-benzimidazole
CID 159500530
acetylene;bis(1H-benzimidazole)
CID 143659644
calcium;1H-benzimidazole;hydride
CID 174891856
1H-benzimidazole;methyl carbamate
CID 18504441
benzene-1,3,5-triol;1H-benzimidazole
CID 129097298
1H-benzimidazole;cyclopropene
CID 175111337
bis(1H-benzimidazole);dichlorocopper
CID 11984972

Frequently Asked Questions

What is the IUPAC name of bis(1H-benzimidazole);copper;formic acid;dihydrate?
The IUPAC name of bis(1H-benzimidazole);copper;formic acid;dihydrate (CID 5259880) is bis(1H-benzimidazole);copper;formic acid;dihydrate.
What is the SMILES notation for bis(1H-benzimidazole);copper;formic acid;dihydrate?
The canonical SMILES for bis(1H-benzimidazole);copper;formic acid;dihydrate is O.O.O=CO.O=CO.[Cu].[Cu].c1ccc2[nH]cnc2c1.c1ccc2[nH]cnc2c1.
What is the InChIKey of bis(1H-benzimidazole);copper;formic acid;dihydrate?
The InChIKey is FFLOJSSIQJILSE-UHFFFAOYSA-N. The full InChI is InChI=1S/2C7H6N2.2CH2O2.2Cu.2H2O/c2*1-2-4-7-6(3-1)8-5-9-7;2*2-1-3;;;;/h2*1-5H,(H,8,9);2*1H,(H,2,3);;;2*1H2.
What are the key properties of bis(1H-benzimidazole);copper;formic acid;dihydrate?
bis(1H-benzimidazole);copper;formic acid;dihydrate has a molecular weight of 491.45 g/mol, XLogP of 0.87, 0 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1H-benzimidazole);copper;formic acid;dihydrate is sourced from PubChem (CID 5259880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).