bis(2-[6-(1H-benzimidazol-2-yl)-2-pyridinyl]benzimidazol-1-ide);ruthenium(2+)

C38H24N10Ru — CID 6481881

IUPACbis(2-[6-(1H-benzimidazol-2-yl)-2-pyridinyl]benzimidazol-1-ide);ruthenium(2+)
SMILES[Ru+2].c1cc(-c2nc3ccccc3[n-]2)nc(-c2nc3ccccc3[nH]2)c1.c1cc(-c2nc3ccccc3[n-]2)nc(-c2nc3ccccc3[nH]2)c1
InChIInChI=1S/2C19H12N5.Ru/c2*1-2-7-13-12(6-1)21-18(22-13)16-10-5-11-17(20-16)19-23-14-8-3-4-9-15(14)24-19;/h2*1-11H,(H-,21,22,23,24);/q2*-1;+2
InChIKeyXACMAFXJNPTTAK-UHFFFAOYSA-N
MW721.75 g/mol
LogP7.59
Rot. Bonds4

About bis(2-[6-(1H-benzimidazol-2-yl)-2-pyridinyl]benzimidazol-1-ide);ruthenium(2+)

bis(2-[6-(1H-benzimidazol-2-yl)-2-pyridinyl]benzimidazol-1-ide);ruthenium(2+) (PubChem CID 6481881) has the molecular formula C38H24N10Ru and a molecular weight of 721.75 g/mol. Its IUPAC name is bis(2-[6-(1H-benzimidazol-2-yl)-2-pyridinyl]benzimidazol-1-ide);ruthenium(2+).

Molecular Properties

Compound Namebis(2-[6-(1H-benzimidazol-2-yl)-2-pyridinyl]benzimidazol-1-ide);ruthenium(2+)
PubChem CID6481881
Molecular FormulaC38H24N10Ru
Molecular Weight721.75 g/mol
Exact Mass722.12
IUPAC Namebis(2-[6-(1H-benzimidazol-2-yl)-2-pyridinyl]benzimidazol-1-ide);ruthenium(2+)
SMILES[Ru+2].c1cc(-c2nc3ccccc3[n-]2)nc(-c2nc3ccccc3[nH]2)c1.c1cc(-c2nc3ccccc3[n-]2)nc(-c2nc3ccccc3[nH]2)c1
InChIInChI=1S/2C19H12N5.Ru/c2*1-2-7-13-12(6-1)21-18(22-13)16-10-5-11-17(20-16)19-23-14-8-3-4-9-15(14)24-19;/h2*1-11H,(H-,21,22,23,24);/q2*-1;+2
InChIKeyXACMAFXJNPTTAK-UHFFFAOYSA-N
XLogP7.59
TPSA137.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500721.75
LogP ≤ 57.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2,6-Bis(benzimidazol-2-yl)pyridine
CID 738986
1H,1'H-2,2'-Bibenzimidazole
CID 249097
Tris(2-benzimidazolylmethyl)amine
CID 623893
1,4-Bis(2-benzimidazolyl)butane
CID 200005
2,2'-(Propane-1,3-diyl)bis(1H-benzimidazole)
CID 242973
2-[6-(5-amino-1H-benzimidazol-2-yl)pyridin-2-yl]-1H-benzimidazol-5-amine
CID 22332182
2,2'-(1,8-Octanediyl)bis(1H-benzimidazole)
CID 99350
1,3-bis(1H-benzimidazol-2-yl)-5-phenyl-pyrrol-2-amine
CID 71459695
1-N,4-N-bis(1H-benzimidazol-2-yl)benzene-1,4-diamine
CID 14688882
2-[4-[4-[4-(1H-benzimidazol-2-yl)phenyl]piperazin-1-yl]phenyl]-1H-benzimidazole
CID 3006255
2-(2-methyl-3H-benzimidazol-5-yl)-6-(6-phenyl-1H-benzimidazol-2-yl)-1H-benzimidazole
CID 9846082
2-[4-(6-Methyl-pyridin-2-yl)-piperazin-1-ylmethyl]-1H-benzoimidazole
CID 9879627

Frequently Asked Questions

What is the IUPAC name of bis(2-[6-(1H-benzimidazol-2-yl)-2-pyridinyl]benzimidazol-1-ide);ruthenium(2+)?
The IUPAC name of bis(2-[6-(1H-benzimidazol-2-yl)-2-pyridinyl]benzimidazol-1-ide);ruthenium(2+) (CID 6481881) is bis(2-[6-(1H-benzimidazol-2-yl)-2-pyridinyl]benzimidazol-1-ide);ruthenium(2+).
What is the SMILES notation for bis(2-[6-(1H-benzimidazol-2-yl)-2-pyridinyl]benzimidazol-1-ide);ruthenium(2+)?
The canonical SMILES for bis(2-[6-(1H-benzimidazol-2-yl)-2-pyridinyl]benzimidazol-1-ide);ruthenium(2+) is [Ru+2].c1cc(-c2nc3ccccc3[n-]2)nc(-c2nc3ccccc3[nH]2)c1.c1cc(-c2nc3ccccc3[n-]2)nc(-c2nc3ccccc3[nH]2)c1.
What is the InChIKey of bis(2-[6-(1H-benzimidazol-2-yl)-2-pyridinyl]benzimidazol-1-ide);ruthenium(2+)?
The InChIKey is XACMAFXJNPTTAK-UHFFFAOYSA-N. The full InChI is InChI=1S/2C19H12N5.Ru/c2*1-2-7-13-12(6-1)21-18(22-13)16-10-5-11-17(20-16)19-23-14-8-3-4-9-15(14)24-19;/h2*1-11H,(H-,21,22,23,24);/q2*-1;+2.
What are the key properties of bis(2-[6-(1H-benzimidazol-2-yl)-2-pyridinyl]benzimidazol-1-ide);ruthenium(2+)?
bis(2-[6-(1H-benzimidazol-2-yl)-2-pyridinyl]benzimidazol-1-ide);ruthenium(2+) has a molecular weight of 721.75 g/mol, XLogP of 7.59, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-[6-(1H-benzimidazol-2-yl)-2-pyridinyl]benzimidazol-1-ide);ruthenium(2+) is sourced from PubChem (CID 6481881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).