dicopper;bis(2-pyridin-3-yl-1H-benzimidazole);tetraacetate

C32H30Cu2N6O8 — CID 139145465

IUPACdicopper;bis(2-pyridin-3-yl-1H-benzimidazole);tetraacetate
SMILESCC(=O)[O-].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].[Cu+2].[Cu+2].c1cncc(-c2nc3ccccc3[nH]2)c1.c1cncc(-c2nc3ccccc3[nH]2)c1
InChIInChI=1S/2C12H9N3.4C2H4O2.2Cu/c2*1-2-6-11-10(5-1)14-12(15-11)9-4-3-7-13-8-9;4*1-2(3)4;;/h2*1-8H,(H,14,15);4*1H3,(H,3,4);;/q;;;;;;2*+2/p-4
InChIKeyQSXZKNQRNZYELU-UHFFFAOYSA-J
MW753.72 g/mol
LogP0.27
Rot. Bonds2

About dicopper;bis(2-pyridin-3-yl-1H-benzimidazole);tetraacetate

dicopper;bis(2-pyridin-3-yl-1H-benzimidazole);tetraacetate (PubChem CID 139145465) has the molecular formula C32H30Cu2N6O8 and a molecular weight of 753.72 g/mol. Its IUPAC name is dicopper;bis(2-pyridin-3-yl-1H-benzimidazole);tetraacetate.

Molecular Properties

Compound Namedicopper;bis(2-pyridin-3-yl-1H-benzimidazole);tetraacetate
PubChem CID139145465
Molecular FormulaC32H30Cu2N6O8
Molecular Weight753.72 g/mol
Exact Mass752.07
IUPAC Namedicopper;bis(2-pyridin-3-yl-1H-benzimidazole);tetraacetate
SMILESCC(=O)[O-].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].[Cu+2].[Cu+2].c1cncc(-c2nc3ccccc3[nH]2)c1.c1cncc(-c2nc3ccccc3[nH]2)c1
InChIInChI=1S/2C12H9N3.4C2H4O2.2Cu/c2*1-2-6-11-10(5-1)14-12(15-11)9-4-3-7-13-8-9;4*1-2(3)4;;/h2*1-8H,(H,14,15);4*1H3,(H,3,4);;/q;;;;;;2*+2/p-4
InChIKeyQSXZKNQRNZYELU-UHFFFAOYSA-J
XLogP0.27
TPSA243.66 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds2
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500753.72
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

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Related Compounds

2,2'-Di-4-pyridinyl-5,5'-bi-1H-benzimidazole
CID 16659285
1-(4-(1H-benzo[d]imidazol-2-yl)phenyl)-3-(4-(1H-imidazo[4,5-b]pyridin-2-yl)phenyl)urea
CID 44406461
5,5'-bis(2-pyridin-3-yl-1H-benzimidazole)
CID 3147257
2-(6-pyrrolidin-1-yl-3-pyridinyl)-1H-benzimidazole
CID 17445816
1,3-bis(4-(1H-imidazo[4,5-c]pyridin-2-yl)phenyl)urea
CID 44406531
CID 44533215
CID 44533215
1-[4-[3-(1H-benzimidazol-2-yl)-2-pyridinyl]piperazin-1-yl]-2-imidazo[4,5-b]pyridin-3-ylethanone
CID 168274591
1-[4-[2-(1H-benzimidazol-2-yl)phenyl]piperazin-1-yl]-2-imidazo[4,5-b]pyridin-3-ylethanone
CID 168279505
2-[5-(1H-benzimidazol-2-yl)-2-pyridinyl]-1H-benzimidazole
CID 129314760
1,3-bis(4-(1H-imidazo[4,5-b]pyridin-2-yl)phenyl)urea
CID 44406485
2-N,5-N-bis(1-methylbenzimidazol-2-yl)-3a,6a-dipyridin-2-yl-1,6-dihydroimidazo[4,5-d]imidazole-2,5-diamine;2,2,2-trifluoroacetic acid
CID 44533206
1-[1H-benzimidazol-2-yl(pyridin-3-yl)methyl]-2-methylbenzimidazole
CID 53383483

Frequently Asked Questions

What is the IUPAC name of dicopper;bis(2-pyridin-3-yl-1H-benzimidazole);tetraacetate?
The IUPAC name of dicopper;bis(2-pyridin-3-yl-1H-benzimidazole);tetraacetate (CID 139145465) is dicopper;bis(2-pyridin-3-yl-1H-benzimidazole);tetraacetate.
What is the SMILES notation for dicopper;bis(2-pyridin-3-yl-1H-benzimidazole);tetraacetate?
The canonical SMILES for dicopper;bis(2-pyridin-3-yl-1H-benzimidazole);tetraacetate is CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].[Cu+2].[Cu+2].c1cncc(-c2nc3ccccc3[nH]2)c1.c1cncc(-c2nc3ccccc3[nH]2)c1.
What is the InChIKey of dicopper;bis(2-pyridin-3-yl-1H-benzimidazole);tetraacetate?
The InChIKey is QSXZKNQRNZYELU-UHFFFAOYSA-J. The full InChI is InChI=1S/2C12H9N3.4C2H4O2.2Cu/c2*1-2-6-11-10(5-1)14-12(15-11)9-4-3-7-13-8-9;4*1-2(3)4;;/h2*1-8H,(H,14,15);4*1H3,(H,3,4);;/q;;;;;;2*+2/p-4.
What are the key properties of dicopper;bis(2-pyridin-3-yl-1H-benzimidazole);tetraacetate?
dicopper;bis(2-pyridin-3-yl-1H-benzimidazole);tetraacetate has a molecular weight of 753.72 g/mol, XLogP of 0.27, 2 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for dicopper;bis(2-pyridin-3-yl-1H-benzimidazole);tetraacetate is sourced from PubChem (CID 139145465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).