1H-benzimidazole;zinc

C7H6N2Zn2 — CID 162235320

IUPAC1H-benzimidazole;zinc
SMILES[Zn].[Zn].c1ccc2[nH]cnc2c1
InChIInChI=1S/C7H6N2.2Zn/c1-2-4-7-6(3-1)8-5-9-7;;/h1-5H,(H,8,9);;
InChIKeyZVZDOMYBXPGXDU-UHFFFAOYSA-N
MW248.92 g/mol
LogP1.56
Rot. Bonds

About 1H-benzimidazole;zinc

1H-benzimidazole;zinc (PubChem CID 162235320) has the molecular formula C7H6N2Zn2 and a molecular weight of 248.92 g/mol. Its IUPAC name is 1H-benzimidazole;zinc.

Molecular Properties

Compound Name1H-benzimidazole;zinc
PubChem CID162235320
Molecular FormulaC7H6N2Zn2
Molecular Weight248.92 g/mol
Exact Mass245.91
IUPAC Name1H-benzimidazole;zinc
SMILES[Zn].[Zn].c1ccc2[nH]cnc2c1
InChIInChI=1S/C7H6N2.2Zn/c1-2-4-7-6(3-1)8-5-9-7;;/h1-5H,(H,8,9);;
InChIKeyZVZDOMYBXPGXDU-UHFFFAOYSA-N
XLogP1.56
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.92
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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1H-benzimidazole;manganese
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acetylene;bis(1H-benzimidazole)
CID 143659644
calcium;1H-benzimidazole;hydride
CID 174891856
1H-benzimidazole;cyclopropene
CID 175111337
bis(1H-benzimidazole);dichlorocopper
CID 11984972
1H-benzimidazole;ethane;molecular hydrogen
CID 142113314
1H-benzimidazole;propane;hydroiodide
CID 172791937
1H-benzimidazole;bis(pyrimidine)
CID 162103575
benzene-1,3,5-triol;1H-benzimidazole
CID 129097298

Frequently Asked Questions

What is the IUPAC name of 1H-benzimidazole;zinc?
The IUPAC name of 1H-benzimidazole;zinc (CID 162235320) is 1H-benzimidazole;zinc.
What is the SMILES notation for 1H-benzimidazole;zinc?
The canonical SMILES for 1H-benzimidazole;zinc is [Zn].[Zn].c1ccc2[nH]cnc2c1.
What is the InChIKey of 1H-benzimidazole;zinc?
The InChIKey is ZVZDOMYBXPGXDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N2.2Zn/c1-2-4-7-6(3-1)8-5-9-7;;/h1-5H,(H,8,9);;.
What are the key properties of 1H-benzimidazole;zinc?
1H-benzimidazole;zinc has a molecular weight of 248.92 g/mol, XLogP of 1.56, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-benzimidazole;zinc is sourced from PubChem (CID 162235320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).