2-(1H-imidazol-2-yl)-1H-imidazole;osmium(2+);bis(2-pyridin-2-ylpyridine);diperchlorate

C26H22Cl2N8O8Os — CID 139166549

IUPAC2-(1H-imidazol-2-yl)-1H-imidazole;osmium(2+);bis(2-pyridin-2-ylpyridine);diperchlorate
SMILES[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].[Os+2].c1c[nH]c(-c2ncc[nH]2)n1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
InChIInChI=1S/2C10H8N2.C6H6N4.2ClHO4.Os/c2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;1-2-8-5(7-1)6-9-3-4-10-6;2*2-1(3,4)5;/h2*1-8H;1-4H,(H,7,8)(H,9,10);2*(H,2,3,4,5);/q;;;;;+2/p-2
InChIKeyJSRZLNHZHOYCMW-UHFFFAOYSA-L
MW835.65 g/mol
LogP-4.43
Rot. Bonds3

About 2-(1H-imidazol-2-yl)-1H-imidazole;osmium(2+);bis(2-pyridin-2-ylpyridine);diperchlorate

2-(1H-imidazol-2-yl)-1H-imidazole;osmium(2+);bis(2-pyridin-2-ylpyridine);diperchlorate (PubChem CID 139166549) has the molecular formula C26H22Cl2N8O8Os and a molecular weight of 835.65 g/mol. Its IUPAC name is 2-(1H-imidazol-2-yl)-1H-imidazole;osmium(2+);bis(2-pyridin-2-ylpyridine);diperchlorate.

Molecular Properties

Compound Name2-(1H-imidazol-2-yl)-1H-imidazole;osmium(2+);bis(2-pyridin-2-ylpyridine);diperchlorate
PubChem CID139166549
Molecular FormulaC26H22Cl2N8O8Os
Molecular Weight835.65 g/mol
Exact Mass836.06
IUPAC Name2-(1H-imidazol-2-yl)-1H-imidazole;osmium(2+);bis(2-pyridin-2-ylpyridine);diperchlorate
SMILES[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].[Os+2].c1c[nH]c(-c2ncc[nH]2)n1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
InChIInChI=1S/2C10H8N2.C6H6N4.2ClHO4.Os/c2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;1-2-8-5(7-1)6-9-3-4-10-6;2*2-1(3,4)5;/h2*1-8H;1-4H,(H,7,8)(H,9,10);2*(H,2,3,4,5);/q;;;;;+2/p-2
InChIKeyJSRZLNHZHOYCMW-UHFFFAOYSA-L
XLogP-4.43
TPSA293.40 Ų
H-Bond Donors2
H-Bond Acceptors14
Rotatable Bonds3
Heavy Atoms45
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500835.65
LogP ≤ 5-4.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1014

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Frequently Asked Questions

What is the IUPAC name of 2-(1H-imidazol-2-yl)-1H-imidazole;osmium(2+);bis(2-pyridin-2-ylpyridine);diperchlorate?
The IUPAC name of 2-(1H-imidazol-2-yl)-1H-imidazole;osmium(2+);bis(2-pyridin-2-ylpyridine);diperchlorate (CID 139166549) is 2-(1H-imidazol-2-yl)-1H-imidazole;osmium(2+);bis(2-pyridin-2-ylpyridine);diperchlorate.
What is the SMILES notation for 2-(1H-imidazol-2-yl)-1H-imidazole;osmium(2+);bis(2-pyridin-2-ylpyridine);diperchlorate?
The canonical SMILES for 2-(1H-imidazol-2-yl)-1H-imidazole;osmium(2+);bis(2-pyridin-2-ylpyridine);diperchlorate is [O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].[Os+2].c1c[nH]c(-c2ncc[nH]2)n1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.
What is the InChIKey of 2-(1H-imidazol-2-yl)-1H-imidazole;osmium(2+);bis(2-pyridin-2-ylpyridine);diperchlorate?
The InChIKey is JSRZLNHZHOYCMW-UHFFFAOYSA-L. The full InChI is InChI=1S/2C10H8N2.C6H6N4.2ClHO4.Os/c2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;1-2-8-5(7-1)6-9-3-4-10-6;2*2-1(3,4)5;/h2*1-8H;1-4H,(H,7,8)(H,9,10);2*(H,2,3,4,5);/q;;;;;+2/p-2.
What are the key properties of 2-(1H-imidazol-2-yl)-1H-imidazole;osmium(2+);bis(2-pyridin-2-ylpyridine);diperchlorate?
2-(1H-imidazol-2-yl)-1H-imidazole;osmium(2+);bis(2-pyridin-2-ylpyridine);diperchlorate has a molecular weight of 835.65 g/mol, XLogP of -4.43, 3 rotatable bonds, 2 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-imidazol-2-yl)-1H-imidazole;osmium(2+);bis(2-pyridin-2-ylpyridine);diperchlorate is sourced from PubChem (CID 139166549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).