bis(2-(1H-benzimidazol-2-yl)phenolate);cobalt(2+)

C26H18CoN4O2 — CID 139068471

IUPACbis(2-(1H-benzimidazol-2-yl)phenolate);cobalt(2+)
SMILES[Co+2].[O-]c1ccccc1-c1nc2ccccc2[nH]1.[O-]c1ccccc1-c1nc2ccccc2[nH]1
InChIInChI=1S/2C13H10N2O.Co/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
InChIKeyISNALRDVNIBSBL-UHFFFAOYSA-L
MW477.39 g/mol
LogP4.60
Rot. Bonds2

About bis(2-(1H-benzimidazol-2-yl)phenolate);cobalt(2+)

bis(2-(1H-benzimidazol-2-yl)phenolate);cobalt(2+) (PubChem CID 139068471) has the molecular formula C26H18CoN4O2 and a molecular weight of 477.39 g/mol. Its IUPAC name is bis(2-(1H-benzimidazol-2-yl)phenolate);cobalt(2+).

Molecular Properties

Compound Namebis(2-(1H-benzimidazol-2-yl)phenolate);cobalt(2+)
PubChem CID139068471
Molecular FormulaC26H18CoN4O2
Molecular Weight477.39 g/mol
Exact Mass477.08
IUPAC Namebis(2-(1H-benzimidazol-2-yl)phenolate);cobalt(2+)
SMILES[Co+2].[O-]c1ccccc1-c1nc2ccccc2[nH]1.[O-]c1ccccc1-c1nc2ccccc2[nH]1
InChIInChI=1S/2C13H10N2O.Co/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
InChIKeyISNALRDVNIBSBL-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 ≤ 500477.39
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of bis(2-(1H-benzimidazol-2-yl)phenolate);cobalt(2+)?
The IUPAC name of bis(2-(1H-benzimidazol-2-yl)phenolate);cobalt(2+) (CID 139068471) is bis(2-(1H-benzimidazol-2-yl)phenolate);cobalt(2+).
What is the SMILES notation for bis(2-(1H-benzimidazol-2-yl)phenolate);cobalt(2+)?
The canonical SMILES for bis(2-(1H-benzimidazol-2-yl)phenolate);cobalt(2+) is [Co+2].[O-]c1ccccc1-c1nc2ccccc2[nH]1.[O-]c1ccccc1-c1nc2ccccc2[nH]1.
What is the InChIKey of bis(2-(1H-benzimidazol-2-yl)phenolate);cobalt(2+)?
The InChIKey is ISNALRDVNIBSBL-UHFFFAOYSA-L. The full InChI is InChI=1S/2C13H10N2O.Co/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 bis(2-(1H-benzimidazol-2-yl)phenolate);cobalt(2+)?
bis(2-(1H-benzimidazol-2-yl)phenolate);cobalt(2+) has a molecular weight of 477.39 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 bis(2-(1H-benzimidazol-2-yl)phenolate);cobalt(2+) is sourced from PubChem (CID 139068471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).