2-phenyl-1H-benzimidazole;zinc

C13H10N2Zn — CID 174639851

IUPAC2-phenyl-1H-benzimidazole;zinc
SMILES[Zn].c1ccc(-c2nc3ccccc3[nH]2)cc1
InChIInChI=1S/C13H10N2.Zn/c1-2-6-10(7-3-1)13-14-11-8-4-5-9-12(11)15-13;/h1-9H,(H,14,15);
InChIKeyKOWNIXNAHVNBHW-UHFFFAOYSA-N
MW259.63 g/mol
LogP3.23
Rot. Bonds1

About 2-phenyl-1H-benzimidazole;zinc

2-phenyl-1H-benzimidazole;zinc (PubChem CID 174639851) has the molecular formula C13H10N2Zn and a molecular weight of 259.63 g/mol. Its IUPAC name is 2-phenyl-1H-benzimidazole;zinc.

Molecular Properties

Compound Name2-phenyl-1H-benzimidazole;zinc
PubChem CID174639851
Molecular FormulaC13H10N2Zn
Molecular Weight259.63 g/mol
Exact Mass258.01
IUPAC Name2-phenyl-1H-benzimidazole;zinc
SMILES[Zn].c1ccc(-c2nc3ccccc3[nH]2)cc1
InChIInChI=1S/C13H10N2.Zn/c1-2-6-10(7-3-1)13-14-11-8-4-5-9-12(11)15-13;/h1-9H,(H,14,15);
InChIKeyKOWNIXNAHVNBHW-UHFFFAOYSA-N
XLogP3.23
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.63
LogP ≤ 53.23
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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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-1H-benzimidazole;zinc?
The IUPAC name of 2-phenyl-1H-benzimidazole;zinc (CID 174639851) is 2-phenyl-1H-benzimidazole;zinc.
What is the SMILES notation for 2-phenyl-1H-benzimidazole;zinc?
The canonical SMILES for 2-phenyl-1H-benzimidazole;zinc is [Zn].c1ccc(-c2nc3ccccc3[nH]2)cc1.
What is the InChIKey of 2-phenyl-1H-benzimidazole;zinc?
The InChIKey is KOWNIXNAHVNBHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2.Zn/c1-2-6-10(7-3-1)13-14-11-8-4-5-9-12(11)15-13;/h1-9H,(H,14,15);.
What are the key properties of 2-phenyl-1H-benzimidazole;zinc?
2-phenyl-1H-benzimidazole;zinc has a molecular weight of 259.63 g/mol, XLogP of 3.23, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-1H-benzimidazole;zinc is sourced from PubChem (CID 174639851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).