zinc;2-[6-(1H-benzimidazol-2-yl)-2-pyridinyl]-1H-benzimidazole;dichloride

C19H13Cl2N5Zn — CID 16721057

IUPACzinc;2-[6-(1H-benzimidazol-2-yl)-2-pyridinyl]-1H-benzimidazole;dichloride
SMILES[Cl-].[Cl-].[Zn+2].c1cc(-c2nc3ccccc3[nH]2)nc(-c2nc3ccccc3[nH]2)c1
InChIInChI=1S/C19H13N5.2ClH.Zn/c1-2-7-13-12(6-1)21-18(22-13)16-10-5-11-17(20-16)19-23-14-8-3-4-9-15(14)24-19;;;/h1-11H,(H,21,22)(H,23,24);2*1H;/q;;;+2/p-2
InChIKeyLZDUUEBUCGNJIV-UHFFFAOYSA-L
MW447.64 g/mol
LogP-1.83
Rot. Bonds2

About zinc;2-[6-(1H-benzimidazol-2-yl)-2-pyridinyl]-1H-benzimidazole;dichloride

zinc;2-[6-(1H-benzimidazol-2-yl)-2-pyridinyl]-1H-benzimidazole;dichloride (PubChem CID 16721057) has the molecular formula C19H13Cl2N5Zn and a molecular weight of 447.64 g/mol. Its IUPAC name is zinc;2-[6-(1H-benzimidazol-2-yl)-2-pyridinyl]-1H-benzimidazole;dichloride.

Molecular Properties

Compound Namezinc;2-[6-(1H-benzimidazol-2-yl)-2-pyridinyl]-1H-benzimidazole;dichloride
PubChem CID16721057
Molecular FormulaC19H13Cl2N5Zn
Molecular Weight447.64 g/mol
Exact Mass444.98
IUPAC Namezinc;2-[6-(1H-benzimidazol-2-yl)-2-pyridinyl]-1H-benzimidazole;dichloride
SMILES[Cl-].[Cl-].[Zn+2].c1cc(-c2nc3ccccc3[nH]2)nc(-c2nc3ccccc3[nH]2)c1
InChIInChI=1S/C19H13N5.2ClH.Zn/c1-2-7-13-12(6-1)21-18(22-13)16-10-5-11-17(20-16)19-23-14-8-3-4-9-15(14)24-19;;;/h1-11H,(H,21,22)(H,23,24);2*1H;/q;;;+2/p-2
InChIKeyLZDUUEBUCGNJIV-UHFFFAOYSA-L
XLogP-1.83
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.64
LogP ≤ 5-1.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

platinum;2-pyridin-2-yl-1H-benzimidazole
CID 174864241
bis(2-[6-(1H-benzimidazol-2-yl)-2-pyridinyl]-1H-benzimidazole);terephthalic acid;tetrahydrate
CID 139060997
copper;palladium;2-pyridin-2-yl-1H-benzimidazole
CID 174748574
benzene-1,2-diamine;6-(1H-benzimidazol-2-yl)pyridin-2-amine
CID 159111206
2-(1H-benzimidazol-2-yl)quinoline
CID 646533
2-[6-(1H-benzimidazol-2-yl)-2-pyridinyl]-1H-benzimidazole;chlororuthenium(1+);4-methyl-2-(4-methyl-2-pyridinyl)pyridine;chloride
CID 139238299
2-phenyl-1H-benzimidazole;zirconium(4+);tetrachloride
CID 173061121
methyl 6-(1H-benzimidazol-2-yl)pyridine-2-carboxylate
CID 68519685
2-[6-(1H-benzimidazol-2-yl)-4-[4-[3,5-bis(1H-benzimidazol-2-yl)phenyl]phenyl]-2-pyridinyl]-1H-benzimidazole
CID 59359581
2-(4,6-diphenyl-2-pyridinyl)-1H-benzimidazole
CID 4268760
2-[4-[4-(1H-benzimidazol-2-yl)phenyl]phenyl]-1H-benzimidazole
CID 12522580
[4-[6-(1H-benzimidazol-2-yl)pyridine-2-carbonyl]piperazin-1-yl]-[6-(1H-benzimidazol-2-yl)-2-pyridinyl]methanone
CID 121299620

Frequently Asked Questions

What is the IUPAC name of zinc;2-[6-(1H-benzimidazol-2-yl)-2-pyridinyl]-1H-benzimidazole;dichloride?
The IUPAC name of zinc;2-[6-(1H-benzimidazol-2-yl)-2-pyridinyl]-1H-benzimidazole;dichloride (CID 16721057) is zinc;2-[6-(1H-benzimidazol-2-yl)-2-pyridinyl]-1H-benzimidazole;dichloride.
What is the SMILES notation for zinc;2-[6-(1H-benzimidazol-2-yl)-2-pyridinyl]-1H-benzimidazole;dichloride?
The canonical SMILES for zinc;2-[6-(1H-benzimidazol-2-yl)-2-pyridinyl]-1H-benzimidazole;dichloride is [Cl-].[Cl-].[Zn+2].c1cc(-c2nc3ccccc3[nH]2)nc(-c2nc3ccccc3[nH]2)c1.
What is the InChIKey of zinc;2-[6-(1H-benzimidazol-2-yl)-2-pyridinyl]-1H-benzimidazole;dichloride?
The InChIKey is LZDUUEBUCGNJIV-UHFFFAOYSA-L. The full InChI is InChI=1S/C19H13N5.2ClH.Zn/c1-2-7-13-12(6-1)21-18(22-13)16-10-5-11-17(20-16)19-23-14-8-3-4-9-15(14)24-19;;;/h1-11H,(H,21,22)(H,23,24);2*1H;/q;;;+2/p-2.
What are the key properties of zinc;2-[6-(1H-benzimidazol-2-yl)-2-pyridinyl]-1H-benzimidazole;dichloride?
zinc;2-[6-(1H-benzimidazol-2-yl)-2-pyridinyl]-1H-benzimidazole;dichloride has a molecular weight of 447.64 g/mol, XLogP of -1.83, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for zinc;2-[6-(1H-benzimidazol-2-yl)-2-pyridinyl]-1H-benzimidazole;dichloride is sourced from PubChem (CID 16721057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).