2-[6-(1H-benzimidazol-2-yl)-2-pyridinyl]-1H-benzimidazole;bis(2-pyridin-2-ylpyridine);ruthenium(2+);chloride;hexafluorophosphate

C39H29ClF6N9PRu — CID 6481880

IUPAC2-[6-(1H-benzimidazol-2-yl)-2-pyridinyl]-1H-benzimidazole;bis(2-pyridin-2-ylpyridine);ruthenium(2+);chloride;hexafluorophosphate
SMILESF[P-](F)(F)(F)(F)F.[Cl-].[Ru+2].c1cc(-c2nc3ccccc3[nH]2)nc(-c2nc3ccccc3[nH]2)c1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
InChIInChI=1S/C19H13N5.2C10H8N2.ClH.F6P.Ru/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;2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;;1-7(2,3,4,5)6;/h1-11H,(H,21,22)(H,23,24);2*1-8H;1H;;/q;;;;-1;+2/p-1
InChIKeyKAYQFLOLVUIPLL-UHFFFAOYSA-M
MW905.21 g/mol
LogP8.84
Rot. Bonds4

About 2-[6-(1H-benzimidazol-2-yl)-2-pyridinyl]-1H-benzimidazole;bis(2-pyridin-2-ylpyridine);ruthenium(2+);chloride;hexafluorophosphate

2-[6-(1H-benzimidazol-2-yl)-2-pyridinyl]-1H-benzimidazole;bis(2-pyridin-2-ylpyridine);ruthenium(2+);chloride;hexafluorophosphate (PubChem CID 6481880) has the molecular formula C39H29ClF6N9PRu and a molecular weight of 905.21 g/mol. Its IUPAC name is 2-[6-(1H-benzimidazol-2-yl)-2-pyridinyl]-1H-benzimidazole;bis(2-pyridin-2-ylpyridine);ruthenium(2+);chloride;hexafluorophosphate.

Molecular Properties

Compound Name2-[6-(1H-benzimidazol-2-yl)-2-pyridinyl]-1H-benzimidazole;bis(2-pyridin-2-ylpyridine);ruthenium(2+);chloride;hexafluorophosphate
PubChem CID6481880
Molecular FormulaC39H29ClF6N9PRu
Molecular Weight905.21 g/mol
Exact Mass905.09
IUPAC Name2-[6-(1H-benzimidazol-2-yl)-2-pyridinyl]-1H-benzimidazole;bis(2-pyridin-2-ylpyridine);ruthenium(2+);chloride;hexafluorophosphate
SMILESF[P-](F)(F)(F)(F)F.[Cl-].[Ru+2].c1cc(-c2nc3ccccc3[nH]2)nc(-c2nc3ccccc3[nH]2)c1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
InChIInChI=1S/C19H13N5.2C10H8N2.ClH.F6P.Ru/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;2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;;1-7(2,3,4,5)6;/h1-11H,(H,21,22)(H,23,24);2*1-8H;1H;;/q;;;;-1;+2/p-1
InChIKeyKAYQFLOLVUIPLL-UHFFFAOYSA-M
XLogP8.84
TPSA121.81 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500905.21
LogP ≤ 58.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2,2'-Di-4-pyridinyl-5,5'-bi-1H-benzimidazole
CID 16659285
2-((4-pyridin-2-ylpiperazine-1-yl)methyl)-1H-benzimidazole
CID 5025739
6-Fluoro-2-(4-pyridin-2-yl-piperazin-1-ylmethyl)-1H-benzoimidazole
CID 9857887
2-{[4-(3-fluoropyridin-2-yl)piperazin-1-yl]methyl}-1H-benzimidazole
CID 9966489
2-[[4-(2-Pyridinyl)-1-piperazinyl]methyl]-1H-benzimidazole trihydrochloride
CID 16759165
2-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-1H-benzimidazole
CID 11255258
2-(4-Pyridin-3-yl-piperazin-1-ylmethyl)-1H-benzoimidazole
CID 11300847
2-[(4-pyridin-2-yl-3,6-dihydro-2H-pyridin-1-yl)methyl]-1H-benzimidazole
CID 11392147
N-[(4,5-difluoro-1H-benzimidazol-2-yl)methyl]-2-(4-methylpiperazin-1-yl)-9-pyridin-3-ylpurin-6-amine
CID 145963824
N-[(4,5-difluoro-1H-benzimidazol-2-yl)methyl]-2-(4-methylpiperazin-1-yl)-9-(2-methyl-4-pyridinyl)purin-6-amine
CID 145965497
N-[(4,5-difluoro-1H-benzimidazol-2-yl)methyl]-2-(4-methylpiperazin-1-yl)-9-pyridin-4-ylpurin-6-amine
CID 145971011
N-[(5,6-difluoro-1H-benzimidazol-2-yl)methyl]-2-(4-methylpiperazin-1-yl)-9-pyridin-3-ylpurin-6-amine
CID 145972343

Frequently Asked Questions

What is the IUPAC name of 2-[6-(1H-benzimidazol-2-yl)-2-pyridinyl]-1H-benzimidazole;bis(2-pyridin-2-ylpyridine);ruthenium(2+);chloride;hexafluorophosphate?
The IUPAC name of 2-[6-(1H-benzimidazol-2-yl)-2-pyridinyl]-1H-benzimidazole;bis(2-pyridin-2-ylpyridine);ruthenium(2+);chloride;hexafluorophosphate (CID 6481880) is 2-[6-(1H-benzimidazol-2-yl)-2-pyridinyl]-1H-benzimidazole;bis(2-pyridin-2-ylpyridine);ruthenium(2+);chloride;hexafluorophosphate.
What is the SMILES notation for 2-[6-(1H-benzimidazol-2-yl)-2-pyridinyl]-1H-benzimidazole;bis(2-pyridin-2-ylpyridine);ruthenium(2+);chloride;hexafluorophosphate?
The canonical SMILES for 2-[6-(1H-benzimidazol-2-yl)-2-pyridinyl]-1H-benzimidazole;bis(2-pyridin-2-ylpyridine);ruthenium(2+);chloride;hexafluorophosphate is F[P-](F)(F)(F)(F)F.[Cl-].[Ru+2].c1cc(-c2nc3ccccc3[nH]2)nc(-c2nc3ccccc3[nH]2)c1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.
What is the InChIKey of 2-[6-(1H-benzimidazol-2-yl)-2-pyridinyl]-1H-benzimidazole;bis(2-pyridin-2-ylpyridine);ruthenium(2+);chloride;hexafluorophosphate?
The InChIKey is KAYQFLOLVUIPLL-UHFFFAOYSA-M. The full InChI is InChI=1S/C19H13N5.2C10H8N2.ClH.F6P.Ru/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;2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;;1-7(2,3,4,5)6;/h1-11H,(H,21,22)(H,23,24);2*1-8H;1H;;/q;;;;-1;+2/p-1.
What are the key properties of 2-[6-(1H-benzimidazol-2-yl)-2-pyridinyl]-1H-benzimidazole;bis(2-pyridin-2-ylpyridine);ruthenium(2+);chloride;hexafluorophosphate?
2-[6-(1H-benzimidazol-2-yl)-2-pyridinyl]-1H-benzimidazole;bis(2-pyridin-2-ylpyridine);ruthenium(2+);chloride;hexafluorophosphate has a molecular weight of 905.21 g/mol, XLogP of 8.84, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(1H-benzimidazol-2-yl)-2-pyridinyl]-1H-benzimidazole;bis(2-pyridin-2-ylpyridine);ruthenium(2+);chloride;hexafluorophosphate is sourced from PubChem (CID 6481880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).