2-[6-(1H-benzimidazol-2-yl)-2-pyridinyl]benzimidazol-1-ide;bis(1,10-phenanthroline);ruthenium(3+);chloride;hexafluorophosphate

C43H28ClF6N9PRu — CID 6481876

IUPAC2-[6-(1H-benzimidazol-2-yl)-2-pyridinyl]benzimidazol-1-ide;bis(1,10-phenanthroline);ruthenium(3+);chloride;hexafluorophosphate
SMILESF[P-](F)(F)(F)(F)F.[Cl-].[Ru+3].c1cc(-c2nc3ccccc3[n-]2)nc(-c2nc3ccccc3[nH]2)c1.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12
InChIInChI=1S/C19H12N5.2C12H8N2.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*1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;;1-7(2,3,4,5)6;/h1-11H,(H-,21,22,23,24);2*1-8H;1H;;/q-1;;;;-1;+3/p-1
InChIKeyMXKHZOYRACPWMY-UHFFFAOYSA-M
MW952.25 g/mol
LogP9.75
Rot. Bonds2

About 2-[6-(1H-benzimidazol-2-yl)-2-pyridinyl]benzimidazol-1-ide;bis(1,10-phenanthroline);ruthenium(3+);chloride;hexafluorophosphate

2-[6-(1H-benzimidazol-2-yl)-2-pyridinyl]benzimidazol-1-ide;bis(1,10-phenanthroline);ruthenium(3+);chloride;hexafluorophosphate (PubChem CID 6481876) has the molecular formula C43H28ClF6N9PRu and a molecular weight of 952.25 g/mol. Its IUPAC name is 2-[6-(1H-benzimidazol-2-yl)-2-pyridinyl]benzimidazol-1-ide;bis(1,10-phenanthroline);ruthenium(3+);chloride;hexafluorophosphate.

Molecular Properties

Compound Name2-[6-(1H-benzimidazol-2-yl)-2-pyridinyl]benzimidazol-1-ide;bis(1,10-phenanthroline);ruthenium(3+);chloride;hexafluorophosphate
PubChem CID6481876
Molecular FormulaC43H28ClF6N9PRu
Molecular Weight952.25 g/mol
Exact Mass952.08
IUPAC Name2-[6-(1H-benzimidazol-2-yl)-2-pyridinyl]benzimidazol-1-ide;bis(1,10-phenanthroline);ruthenium(3+);chloride;hexafluorophosphate
SMILESF[P-](F)(F)(F)(F)F.[Cl-].[Ru+3].c1cc(-c2nc3ccccc3[n-]2)nc(-c2nc3ccccc3[nH]2)c1.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12
InChIInChI=1S/C19H12N5.2C12H8N2.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*1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;;1-7(2,3,4,5)6;/h1-11H,(H-,21,22,23,24);2*1-8H;1H;;/q-1;;;;-1;+3/p-1
InChIKeyMXKHZOYRACPWMY-UHFFFAOYSA-M
XLogP9.75
TPSA120.12 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500952.25
LogP ≤ 59.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 2-[6-(1H-benzimidazol-2-yl)-2-pyridinyl]benzimidazol-1-ide;bis(1,10-phenanthroline);ruthenium(3+);chloride;hexafluorophosphate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,2'-Di-4-pyridinyl-5,5'-bi-1H-benzimidazole
CID 16659285
Apto-253
CID 11960271
N-(1H-benzimidazol-2-ylmethyl)-N-[[4-[(2-pyridylmethylamino)methyl]phenyl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine
CID 9959718
N-methyl-N-[[7-(3-pyrrolidin-1-ylpropyl)-1H-benzimidazol-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine
CID 11524227
N-[[7-[[2-(1H-imidazol-5-yl)ethylamino]methyl]-1H-benzimidazol-2-yl]methyl]-N-methyl-5,6,7,8-tetrahydroquinolin-8-amine
CID 11697340
N-methyl-N-[[7-[3-(1-piperidyl)propyl]-1H-benzimidazol-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine
CID 11704409
N-[(1H-Benzo[d]imidazol-2-yl)methyl]-N-(4-(aminomethyl)-benzyl)-5,6,7,8-tetrahydroquinolin-8-amine
CID 21985008
N-(1H-benzimidazol-2-ylmethyl)-N-[[4-[(benzylamino)methyl]phenyl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine
CID 22018607
(8S)-N-(1H-benzimidazol-2-ylmethyl)-N-[[4-[(2-pyridylmethylamino)methyl]phenyl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine
CID 46206137
N-(2-methyl-5-(quinoxalin-2-yl)phenyl)-7-(pyridin-2-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine
CID 11154615
5-((4-(2-(4-tert-butylphenyl)-1H-benzo[d]imidazol-4-yl)piperazin-1-yl)methyl)quinoxaline
CID 11583756
7-((4-(2-(4-tert-butylphenyl)-1H-benzo[d]imidazol-4-yl)piperazin-1-yl)methyl)quinoline
CID 44572287

Frequently Asked Questions

What is the IUPAC name of 2-[6-(1H-benzimidazol-2-yl)-2-pyridinyl]benzimidazol-1-ide;bis(1,10-phenanthroline);ruthenium(3+);chloride;hexafluorophosphate?
The IUPAC name of 2-[6-(1H-benzimidazol-2-yl)-2-pyridinyl]benzimidazol-1-ide;bis(1,10-phenanthroline);ruthenium(3+);chloride;hexafluorophosphate (CID 6481876) is 2-[6-(1H-benzimidazol-2-yl)-2-pyridinyl]benzimidazol-1-ide;bis(1,10-phenanthroline);ruthenium(3+);chloride;hexafluorophosphate.
What is the SMILES notation for 2-[6-(1H-benzimidazol-2-yl)-2-pyridinyl]benzimidazol-1-ide;bis(1,10-phenanthroline);ruthenium(3+);chloride;hexafluorophosphate?
The canonical SMILES for 2-[6-(1H-benzimidazol-2-yl)-2-pyridinyl]benzimidazol-1-ide;bis(1,10-phenanthroline);ruthenium(3+);chloride;hexafluorophosphate is F[P-](F)(F)(F)(F)F.[Cl-].[Ru+3].c1cc(-c2nc3ccccc3[n-]2)nc(-c2nc3ccccc3[nH]2)c1.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12.
What is the InChIKey of 2-[6-(1H-benzimidazol-2-yl)-2-pyridinyl]benzimidazol-1-ide;bis(1,10-phenanthroline);ruthenium(3+);chloride;hexafluorophosphate?
The InChIKey is MXKHZOYRACPWMY-UHFFFAOYSA-M. The full InChI is InChI=1S/C19H12N5.2C12H8N2.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*1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;;1-7(2,3,4,5)6;/h1-11H,(H-,21,22,23,24);2*1-8H;1H;;/q-1;;;;-1;+3/p-1.
What are the key properties of 2-[6-(1H-benzimidazol-2-yl)-2-pyridinyl]benzimidazol-1-ide;bis(1,10-phenanthroline);ruthenium(3+);chloride;hexafluorophosphate?
2-[6-(1H-benzimidazol-2-yl)-2-pyridinyl]benzimidazol-1-ide;bis(1,10-phenanthroline);ruthenium(3+);chloride;hexafluorophosphate has a molecular weight of 952.25 g/mol, XLogP of 9.75, 2 rotatable bonds, 1 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]benzimidazol-1-ide;bis(1,10-phenanthroline);ruthenium(3+);chloride;hexafluorophosphate is sourced from PubChem (CID 6481876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).