2-phenyl-1H-benzimidazole;zirconium(4+);tetrachloride

C13H10Cl4N2Zr — CID 173061121

IUPAC2-phenyl-1H-benzimidazole;zirconium(4+);tetrachloride
SMILES[Cl-].[Cl-].[Cl-].[Cl-].[Zr+4].c1ccc(-c2nc3ccccc3[nH]2)cc1
InChIInChI=1S/C13H10N2.4ClH.Zr/c1-2-6-10(7-3-1)13-14-11-8-4-5-9-12(11)15-13;;;;;/h1-9H,(H,14,15);4*1H;/q;;;;;+4/p-4
InChIKeyYFVFWOYMHAEGQL-UHFFFAOYSA-J
MW427.27 g/mol
LogP-8.76
Rot. Bonds1

About 2-phenyl-1H-benzimidazole;zirconium(4+);tetrachloride

2-phenyl-1H-benzimidazole;zirconium(4+);tetrachloride (PubChem CID 173061121) has the molecular formula C13H10Cl4N2Zr and a molecular weight of 427.27 g/mol. Its IUPAC name is 2-phenyl-1H-benzimidazole;zirconium(4+);tetrachloride.

Molecular Properties

Compound Name2-phenyl-1H-benzimidazole;zirconium(4+);tetrachloride
PubChem CID173061121
Molecular FormulaC13H10Cl4N2Zr
Molecular Weight427.27 g/mol
Exact Mass423.86
IUPAC Name2-phenyl-1H-benzimidazole;zirconium(4+);tetrachloride
SMILES[Cl-].[Cl-].[Cl-].[Cl-].[Zr+4].c1ccc(-c2nc3ccccc3[nH]2)cc1
InChIInChI=1S/C13H10N2.4ClH.Zr/c1-2-6-10(7-3-1)13-14-11-8-4-5-9-12(11)15-13;;;;;/h1-9H,(H,14,15);4*1H;/q;;;;;+4/p-4
InChIKeyYFVFWOYMHAEGQL-UHFFFAOYSA-J
XLogP-8.76
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.27
LogP ≤ 5-8.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-1H-benzimidazole;zirconium(4+);tetrachloride?
The IUPAC name of 2-phenyl-1H-benzimidazole;zirconium(4+);tetrachloride (CID 173061121) is 2-phenyl-1H-benzimidazole;zirconium(4+);tetrachloride.
What is the SMILES notation for 2-phenyl-1H-benzimidazole;zirconium(4+);tetrachloride?
The canonical SMILES for 2-phenyl-1H-benzimidazole;zirconium(4+);tetrachloride is [Cl-].[Cl-].[Cl-].[Cl-].[Zr+4].c1ccc(-c2nc3ccccc3[nH]2)cc1.
What is the InChIKey of 2-phenyl-1H-benzimidazole;zirconium(4+);tetrachloride?
The InChIKey is YFVFWOYMHAEGQL-UHFFFAOYSA-J. The full InChI is InChI=1S/C13H10N2.4ClH.Zr/c1-2-6-10(7-3-1)13-14-11-8-4-5-9-12(11)15-13;;;;;/h1-9H,(H,14,15);4*1H;/q;;;;;+4/p-4.
What are the key properties of 2-phenyl-1H-benzimidazole;zirconium(4+);tetrachloride?
2-phenyl-1H-benzimidazole;zirconium(4+);tetrachloride has a molecular weight of 427.27 g/mol, XLogP of -8.76, 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;zirconium(4+);tetrachloride is sourced from PubChem (CID 173061121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).