copper bis(2-(1H-benzimidazol-2-yl)phenolate)

C26H18CuN4O2 — CID 134105250

IUPACcopper bis(2-(1H-benzimidazol-2-yl)phenolate)
SMILES[Cu+2].[O-]c1ccccc1-c1nc2ccccc2[nH]1.[O-]c1ccccc1-c1nc2ccccc2[nH]1
InChIInChI=1S/2C13H10N2O.Cu/c2*16-12-8-4-1-5-9(12)13-14-10-6-2-3-7-11(10)15-13;/h2*1-8,16H,(H,14,15);/q;;+2/p-2
InChIKeyKJDZCDZCOLTJQU-UHFFFAOYSA-L
MW482.00 g/mol
LogP4.60
Rot. Bonds2

About copper bis(2-(1H-benzimidazol-2-yl)phenolate)

copper bis(2-(1H-benzimidazol-2-yl)phenolate) (PubChem CID 134105250) has the molecular formula C26H18CuN4O2 and a molecular weight of 482.00 g/mol. Its IUPAC name is copper bis(2-(1H-benzimidazol-2-yl)phenolate).

Molecular Properties

Compound Namecopper bis(2-(1H-benzimidazol-2-yl)phenolate)
PubChem CID134105250
Molecular FormulaC26H18CuN4O2
Molecular Weight482.00 g/mol
Exact Mass481.07
IUPAC Namecopper bis(2-(1H-benzimidazol-2-yl)phenolate)
SMILES[Cu+2].[O-]c1ccccc1-c1nc2ccccc2[nH]1.[O-]c1ccccc1-c1nc2ccccc2[nH]1
InChIInChI=1S/2C13H10N2O.Cu/c2*16-12-8-4-1-5-9(12)13-14-10-6-2-3-7-11(10)15-13;/h2*1-8,16H,(H,14,15);/q;;+2/p-2
InChIKeyKJDZCDZCOLTJQU-UHFFFAOYSA-L
XLogP4.60
TPSA103.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.00
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

bis(2-(1H-benzimidazol-2-yl)phenolate);cobalt(2+)
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2-(1H-benzimidazol-2-yl)benzoate;copper(1+)
CID 174857588
bis(2-(1H-benzimidazol-2-yl)-4,6-dibromophenolate);nickel(2+)
CID 139072906
2-[4-[4-(1H-benzimidazol-2-yl)phenyl]phenyl]-1H-benzimidazole
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2-phenanthren-9-yl-1H-benzimidazole
CID 102492769
2,6-bis(1H-benzimidazol-2-yl)-4-[3,5-bis(1H-benzimidazol-2-yl)-4-hydroxyphenyl]phenol
CID 139797671
2-[2-(1H-benzimidazol-2-ylmethyl)phenyl]-1H-benzimidazole
CID 86342200
2-[2-[5-[2-(1H-benzimidazol-2-yl)phenoxy]pentoxy]phenyl]-1H-benzimidazole
CID 25255578
2-[2-(2,3-dichlorophenyl)phenyl]-1H-benzimidazole
CID 134336861
2-(1H-benzimidazol-2-yl)-6-fluorophenol
CID 168553450
2-(1H-benzimidazol-2-yl)benzamide
CID 23510026

Frequently Asked Questions

What is the IUPAC name of copper bis(2-(1H-benzimidazol-2-yl)phenolate)?
The IUPAC name of copper bis(2-(1H-benzimidazol-2-yl)phenolate) (CID 134105250) is copper bis(2-(1H-benzimidazol-2-yl)phenolate).
What is the SMILES notation for copper bis(2-(1H-benzimidazol-2-yl)phenolate)?
The canonical SMILES for copper bis(2-(1H-benzimidazol-2-yl)phenolate) is [Cu+2].[O-]c1ccccc1-c1nc2ccccc2[nH]1.[O-]c1ccccc1-c1nc2ccccc2[nH]1.
What is the InChIKey of copper bis(2-(1H-benzimidazol-2-yl)phenolate)?
The InChIKey is KJDZCDZCOLTJQU-UHFFFAOYSA-L. The full InChI is InChI=1S/2C13H10N2O.Cu/c2*16-12-8-4-1-5-9(12)13-14-10-6-2-3-7-11(10)15-13;/h2*1-8,16H,(H,14,15);/q;;+2/p-2.
What are the key properties of copper bis(2-(1H-benzimidazol-2-yl)phenolate)?
copper bis(2-(1H-benzimidazol-2-yl)phenolate) has a molecular weight of 482.00 g/mol, XLogP of 4.60, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for copper bis(2-(1H-benzimidazol-2-yl)phenolate) is sourced from PubChem (CID 134105250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).