1-benzyl-2-[6-(1-benzylbenzimidazol-2-yl)-2-pyridinyl]benzimidazole;4,8-dioxidoquinoline-2-carboxylate;ruthenium(3+)

C43H29N6O4Ru — CID 139051956

IUPAC1-benzyl-2-[6-(1-benzylbenzimidazol-2-yl)-2-pyridinyl]benzimidazole;4,8-dioxidoquinoline-2-carboxylate;ruthenium(3+)
SMILESO=C([O-])c1cc([O-])c2cccc([O-])c2n1.[Ru+3].c1ccc(Cn2c(-c3cccc(-c4nc5ccccc5n4Cc4ccccc4)n3)nc3ccccc32)cc1
InChIInChI=1S/C33H25N5.C10H7NO4.Ru/c1-3-12-24(13-4-1)22-37-30-20-9-7-16-26(30)35-32(37)28-18-11-19-29(34-28)33-36-27-17-8-10-21-31(27)38(33)23-25-14-5-2-6-15-25;12-7-3-1-2-5-8(13)4-6(10(14)15)11-9(5)7;/h1-21H,22-23H2;1-4,12H,(H,11,13)(H,14,15);/q;;+3/p-3
InChIKeyANPAUBATLFWVFF-UHFFFAOYSA-K
MW794.81 g/mol
LogP5.95
Rot. Bonds7

About 1-benzyl-2-[6-(1-benzylbenzimidazol-2-yl)-2-pyridinyl]benzimidazole;4,8-dioxidoquinoline-2-carboxylate;ruthenium(3+)

1-benzyl-2-[6-(1-benzylbenzimidazol-2-yl)-2-pyridinyl]benzimidazole;4,8-dioxidoquinoline-2-carboxylate;ruthenium(3+) (PubChem CID 139051956) has the molecular formula C43H29N6O4Ru and a molecular weight of 794.81 g/mol. Its IUPAC name is 1-benzyl-2-[6-(1-benzylbenzimidazol-2-yl)-2-pyridinyl]benzimidazole;4,8-dioxidoquinoline-2-carboxylate;ruthenium(3+).

Molecular Properties

Compound Name1-benzyl-2-[6-(1-benzylbenzimidazol-2-yl)-2-pyridinyl]benzimidazole;4,8-dioxidoquinoline-2-carboxylate;ruthenium(3+)
PubChem CID139051956
Molecular FormulaC43H29N6O4Ru
Molecular Weight794.81 g/mol
Exact Mass795.13
IUPAC Name1-benzyl-2-[6-(1-benzylbenzimidazol-2-yl)-2-pyridinyl]benzimidazole;4,8-dioxidoquinoline-2-carboxylate;ruthenium(3+)
SMILESO=C([O-])c1cc([O-])c2cccc([O-])c2n1.[Ru+3].c1ccc(Cn2c(-c3cccc(-c4nc5ccccc5n4Cc4ccccc4)n3)nc3ccccc32)cc1
InChIInChI=1S/C33H25N5.C10H7NO4.Ru/c1-3-12-24(13-4-1)22-37-30-20-9-7-16-26(30)35-32(37)28-18-11-19-29(34-28)33-36-27-17-8-10-21-31(27)38(33)23-25-14-5-2-6-15-25;12-7-3-1-2-5-8(13)4-6(10(14)15)11-9(5)7;/h1-21H,22-23H2;1-4,12H,(H,11,13)(H,14,15);/q;;+3/p-3
InChIKeyANPAUBATLFWVFF-UHFFFAOYSA-K
XLogP5.95
TPSA147.67 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500794.81
LogP ≤ 55.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 1-benzyl-2-[6-(1-benzylbenzimidazol-2-yl)-2-pyridinyl]benzimidazole;4,8-dioxidoquinoline-2-carboxylate;ruthenium(3+) 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

Tris(2-(1-methylbenzimidazol-2-yl)quinolin-8-olate);praseodymium(3+);propan-2-ol;dihydrate
CID 139128385
Bis(acetonitrile);tris(2-(1-butyl-6-methylbenzimidazol-2-yl)quinolin-8-olate);lanthanum(3+)
CID 139128387
6-[2-Carbazol-9-id-1-yl-1-(3,5-dimethylphenyl)benzimidazol-4-yl]-4-(3,5-dimethylphenyl)pyridine-2-carboxylic acid;6-[2-carbazol-9-id-1-yl-1-(3-phenylphenyl)benzimidazol-4-yl]-4-(3,5-dimethylphenyl)pyridine-2-carboxylic acid;6-(2-carbazol-9-id-1-yl-1-propan-2-ylbenzimidazol-4-yl)-4-(3,5-dimethylphenyl)pyridine-2-carboxylic acid;2-[2-(3,6-ditert-butylcarbazol-9-id-1-yl)-1-phenylbenzimidazol-4-yl]quinolin-8-ol;platinum
CID 161891154

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-2-[6-(1-benzylbenzimidazol-2-yl)-2-pyridinyl]benzimidazole;4,8-dioxidoquinoline-2-carboxylate;ruthenium(3+)?
The IUPAC name of 1-benzyl-2-[6-(1-benzylbenzimidazol-2-yl)-2-pyridinyl]benzimidazole;4,8-dioxidoquinoline-2-carboxylate;ruthenium(3+) (CID 139051956) is 1-benzyl-2-[6-(1-benzylbenzimidazol-2-yl)-2-pyridinyl]benzimidazole;4,8-dioxidoquinoline-2-carboxylate;ruthenium(3+).
What is the SMILES notation for 1-benzyl-2-[6-(1-benzylbenzimidazol-2-yl)-2-pyridinyl]benzimidazole;4,8-dioxidoquinoline-2-carboxylate;ruthenium(3+)?
The canonical SMILES for 1-benzyl-2-[6-(1-benzylbenzimidazol-2-yl)-2-pyridinyl]benzimidazole;4,8-dioxidoquinoline-2-carboxylate;ruthenium(3+) is O=C([O-])c1cc([O-])c2cccc([O-])c2n1.[Ru+3].c1ccc(Cn2c(-c3cccc(-c4nc5ccccc5n4Cc4ccccc4)n3)nc3ccccc32)cc1.
What is the InChIKey of 1-benzyl-2-[6-(1-benzylbenzimidazol-2-yl)-2-pyridinyl]benzimidazole;4,8-dioxidoquinoline-2-carboxylate;ruthenium(3+)?
The InChIKey is ANPAUBATLFWVFF-UHFFFAOYSA-K. The full InChI is InChI=1S/C33H25N5.C10H7NO4.Ru/c1-3-12-24(13-4-1)22-37-30-20-9-7-16-26(30)35-32(37)28-18-11-19-29(34-28)33-36-27-17-8-10-21-31(27)38(33)23-25-14-5-2-6-15-25;12-7-3-1-2-5-8(13)4-6(10(14)15)11-9(5)7;/h1-21H,22-23H2;1-4,12H,(H,11,13)(H,14,15);/q;;+3/p-3.
What are the key properties of 1-benzyl-2-[6-(1-benzylbenzimidazol-2-yl)-2-pyridinyl]benzimidazole;4,8-dioxidoquinoline-2-carboxylate;ruthenium(3+)?
1-benzyl-2-[6-(1-benzylbenzimidazol-2-yl)-2-pyridinyl]benzimidazole;4,8-dioxidoquinoline-2-carboxylate;ruthenium(3+) has a molecular weight of 794.81 g/mol, XLogP of 5.95, 7 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-2-[6-(1-benzylbenzimidazol-2-yl)-2-pyridinyl]benzimidazole;4,8-dioxidoquinoline-2-carboxylate;ruthenium(3+) is sourced from PubChem (CID 139051956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).