2-(benzimidazol-1-id-2-yl)benzimidazol-1-ide;2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylate;2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;bis(2-quinolin-2-ylquinoline);bis(ruthenium(1+))

C74H47N12O8Ru2- — CID 59551806

IUPAC2-(benzimidazol-1-id-2-yl)benzimidazol-1-ide;2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylate;2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;bis(2-quinolin-2-ylquinoline);bis(ruthenium(1+))
SMILESO=C(O)c1ccnc(-c2cc(C(=O)O)ccn2)c1.O=C([O-])c1ccnc(-c2cc(C(=O)O)ccn2)c1.[Ru+].[Ru+].c1ccc2[n-]c(-c3nc4ccccc4[n-]3)nc2c1.c1ccc2nc(-c3ccc4ccccc4n3)ccc2c1.c1ccc2nc(-c3ccc4ccccc4n3)ccc2c1
InChIInChI=1S/2C18H12N2.C14H8N4.2C12H8N2O4.2Ru/c2*1-3-7-15-13(5-1)9-11-17(19-15)18-12-10-14-6-2-4-8-16(14)20-18;1-2-6-10-9(5-1)15-13(16-10)14-17-11-7-3-4-8-12(11)18-14;2*15-11(16)7-1-3-13-9(5-7)10-6-8(12(17)18)2-4-14-10;;/h2*1-12H;1-8H;2*1-6H,(H,15,16)(H,17,18);;/q;;-2;;;2*+1/p-1
InChIKeyXPIWGAGRFROZIL-UHFFFAOYSA-M
MW1434.41 g/mol
LogP13.00
Rot. Bonds9

About 2-(benzimidazol-1-id-2-yl)benzimidazol-1-ide;2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylate;2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;bis(2-quinolin-2-ylquinoline);bis(ruthenium(1+))

2-(benzimidazol-1-id-2-yl)benzimidazol-1-ide;2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylate;2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;bis(2-quinolin-2-ylquinoline);bis(ruthenium(1+)) (PubChem CID 59551806) has the molecular formula C74H47N12O8Ru2- and a molecular weight of 1434.41 g/mol. Its IUPAC name is 2-(benzimidazol-1-id-2-yl)benzimidazol-1-ide;2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylate;2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;bis(2-quinolin-2-ylquinoline);bis(ruthenium(1+)).

Molecular Properties

Compound Name2-(benzimidazol-1-id-2-yl)benzimidazol-1-ide;2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylate;2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;bis(2-quinolin-2-ylquinoline);bis(ruthenium(1+))
PubChem CID59551806
Molecular FormulaC74H47N12O8Ru2-
Molecular Weight1434.41 g/mol
Exact Mass1435.17
IUPAC Name2-(benzimidazol-1-id-2-yl)benzimidazol-1-ide;2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylate;2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;bis(2-quinolin-2-ylquinoline);bis(ruthenium(1+))
SMILESO=C(O)c1ccnc(-c2cc(C(=O)O)ccn2)c1.O=C([O-])c1ccnc(-c2cc(C(=O)O)ccn2)c1.[Ru+].[Ru+].c1ccc2[n-]c(-c3nc4ccccc4[n-]3)nc2c1.c1ccc2nc(-c3ccc4ccccc4n3)ccc2c1.c1ccc2nc(-c3ccc4ccccc4n3)ccc2c1
InChIInChI=1S/2C18H12N2.C14H8N4.2C12H8N2O4.2Ru/c2*1-3-7-15-13(5-1)9-11-17(19-15)18-12-10-14-6-2-4-8-16(14)20-18;1-2-6-10-9(5-1)15-13(16-10)14-17-11-7-3-4-8-12(11)18-14;2*15-11(16)7-1-3-13-9(5-7)10-6-8(12(17)18)2-4-14-10;;/h2*1-12H;1-8H;2*1-6H,(H,15,16)(H,17,18);;/q;;-2;;;2*+1/p-1
InChIKeyXPIWGAGRFROZIL-UHFFFAOYSA-M
XLogP13.00
TPSA309.13 Ų
H-Bond Donors3
H-Bond Acceptors15
Rotatable Bonds9
Heavy Atoms96
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001434.41
LogP ≤ 513.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1015

Analyze 2-(benzimidazol-1-id-2-yl)benzimidazol-1-ide;2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylate;2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;bis(2-quinolin-2-ylquinoline);bis(ruthenium(1+)) with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(benzimidazol-1-id-2-yl)benzimidazol-1-ide;2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylate;2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;bis(2-quinolin-2-ylquinoline);bis(ruthenium(1+))?
The IUPAC name of 2-(benzimidazol-1-id-2-yl)benzimidazol-1-ide;2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylate;2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;bis(2-quinolin-2-ylquinoline);bis(ruthenium(1+)) (CID 59551806) is 2-(benzimidazol-1-id-2-yl)benzimidazol-1-ide;2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylate;2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;bis(2-quinolin-2-ylquinoline);bis(ruthenium(1+)).
What is the SMILES notation for 2-(benzimidazol-1-id-2-yl)benzimidazol-1-ide;2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylate;2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;bis(2-quinolin-2-ylquinoline);bis(ruthenium(1+))?
The canonical SMILES for 2-(benzimidazol-1-id-2-yl)benzimidazol-1-ide;2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylate;2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;bis(2-quinolin-2-ylquinoline);bis(ruthenium(1+)) is O=C(O)c1ccnc(-c2cc(C(=O)O)ccn2)c1.O=C([O-])c1ccnc(-c2cc(C(=O)O)ccn2)c1.[Ru+].[Ru+].c1ccc2[n-]c(-c3nc4ccccc4[n-]3)nc2c1.c1ccc2nc(-c3ccc4ccccc4n3)ccc2c1.c1ccc2nc(-c3ccc4ccccc4n3)ccc2c1.
What is the InChIKey of 2-(benzimidazol-1-id-2-yl)benzimidazol-1-ide;2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylate;2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;bis(2-quinolin-2-ylquinoline);bis(ruthenium(1+))?
The InChIKey is XPIWGAGRFROZIL-UHFFFAOYSA-M. The full InChI is InChI=1S/2C18H12N2.C14H8N4.2C12H8N2O4.2Ru/c2*1-3-7-15-13(5-1)9-11-17(19-15)18-12-10-14-6-2-4-8-16(14)20-18;1-2-6-10-9(5-1)15-13(16-10)14-17-11-7-3-4-8-12(11)18-14;2*15-11(16)7-1-3-13-9(5-7)10-6-8(12(17)18)2-4-14-10;;/h2*1-12H;1-8H;2*1-6H,(H,15,16)(H,17,18);;/q;;-2;;;2*+1/p-1.
What are the key properties of 2-(benzimidazol-1-id-2-yl)benzimidazol-1-ide;2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylate;2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;bis(2-quinolin-2-ylquinoline);bis(ruthenium(1+))?
2-(benzimidazol-1-id-2-yl)benzimidazol-1-ide;2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylate;2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;bis(2-quinolin-2-ylquinoline);bis(ruthenium(1+)) has a molecular weight of 1434.41 g/mol, XLogP of 13.00, 9 rotatable bonds, 3 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzimidazol-1-id-2-yl)benzimidazol-1-ide;2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylate;2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;bis(2-quinolin-2-ylquinoline);bis(ruthenium(1+)) is sourced from PubChem (CID 59551806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).