2-(benzimidazol-1-id-2-yl)benzimidazol-1-ide;bis(5,6-dimethyl-1,10-phenanthroline);2-(4-formyloxy-2-pyridinyl)pyridine-4-carboxylate;2-(4-formyloxy-2-pyridinyl)pyridine-4-carboxylic acid;bis(ruthenium(1+))

C66H47N12O8Ru2- — CID 58239580

IUPAC2-(benzimidazol-1-id-2-yl)benzimidazol-1-ide;bis(5,6-dimethyl-1,10-phenanthroline);2-(4-formyloxy-2-pyridinyl)pyridine-4-carboxylate;2-(4-formyloxy-2-pyridinyl)pyridine-4-carboxylic acid;bis(ruthenium(1+))
SMILESCc1c(C)c2cccnc2c2ncccc12.Cc1c(C)c2cccnc2c2ncccc12.O=COc1ccnc(-c2cc(C(=O)O)ccn2)c1.O=COc1ccnc(-c2cc(C(=O)[O-])ccn2)c1.[Ru+].[Ru+].c1ccc2[n-]c(-c3nc4ccccc4[n-]3)nc2c1
InChIInChI=1S/C14H8N4.2C14H12N2.2C12H8N2O4.2Ru/c1-2-6-10-9(5-1)15-13(16-10)14-17-11-7-3-4-8-12(11)18-14;2*1-9-10(2)12-6-4-8-16-14(12)13-11(9)5-3-7-15-13;2*15-7-18-9-2-4-14-11(6-9)10-5-8(12(16)17)1-3-13-10;;/h1-8H;2*3-8H,1-2H3;2*1-7H,(H,16,17);;/q-2;;;;;2*+1/p-1
InChIKeyYEWJVONHONUDHX-UHFFFAOYSA-M
MW1338.32 g/mol
LogP10.58
Rot. Bonds9

About 2-(benzimidazol-1-id-2-yl)benzimidazol-1-ide;bis(5,6-dimethyl-1,10-phenanthroline);2-(4-formyloxy-2-pyridinyl)pyridine-4-carboxylate;2-(4-formyloxy-2-pyridinyl)pyridine-4-carboxylic acid;bis(ruthenium(1+))

2-(benzimidazol-1-id-2-yl)benzimidazol-1-ide;bis(5,6-dimethyl-1,10-phenanthroline);2-(4-formyloxy-2-pyridinyl)pyridine-4-carboxylate;2-(4-formyloxy-2-pyridinyl)pyridine-4-carboxylic acid;bis(ruthenium(1+)) (PubChem CID 58239580) has the molecular formula C66H47N12O8Ru2- and a molecular weight of 1338.32 g/mol. Its IUPAC name is 2-(benzimidazol-1-id-2-yl)benzimidazol-1-ide;bis(5,6-dimethyl-1,10-phenanthroline);2-(4-formyloxy-2-pyridinyl)pyridine-4-carboxylate;2-(4-formyloxy-2-pyridinyl)pyridine-4-carboxylic acid;bis(ruthenium(1+)).

Molecular Properties

Compound Name2-(benzimidazol-1-id-2-yl)benzimidazol-1-ide;bis(5,6-dimethyl-1,10-phenanthroline);2-(4-formyloxy-2-pyridinyl)pyridine-4-carboxylate;2-(4-formyloxy-2-pyridinyl)pyridine-4-carboxylic acid;bis(ruthenium(1+))
PubChem CID58239580
Molecular FormulaC66H47N12O8Ru2-
Molecular Weight1338.32 g/mol
Exact Mass1339.17
IUPAC Name2-(benzimidazol-1-id-2-yl)benzimidazol-1-ide;bis(5,6-dimethyl-1,10-phenanthroline);2-(4-formyloxy-2-pyridinyl)pyridine-4-carboxylate;2-(4-formyloxy-2-pyridinyl)pyridine-4-carboxylic acid;bis(ruthenium(1+))
SMILESCc1c(C)c2cccnc2c2ncccc12.Cc1c(C)c2cccnc2c2ncccc12.O=COc1ccnc(-c2cc(C(=O)O)ccn2)c1.O=COc1ccnc(-c2cc(C(=O)[O-])ccn2)c1.[Ru+].[Ru+].c1ccc2[n-]c(-c3nc4ccccc4[n-]3)nc2c1
InChIInChI=1S/C14H8N4.2C14H12N2.2C12H8N2O4.2Ru/c1-2-6-10-9(5-1)15-13(16-10)14-17-11-7-3-4-8-12(11)18-14;2*1-9-10(2)12-6-4-8-16-14(12)13-11(9)5-3-7-15-13;2*15-7-18-9-2-4-14-11(6-9)10-5-8(12(16)17)1-3-13-10;;/h1-8H;2*3-8H,1-2H3;2*1-7H,(H,16,17);;/q-2;;;;;2*+1/p-1
InChIKeyYEWJVONHONUDHX-UHFFFAOYSA-M
XLogP10.58
TPSA287.13 Ų
H-Bond Donors1
H-Bond Acceptors17
Rotatable Bonds9
Heavy Atoms88
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001338.32
LogP ≤ 510.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

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

Analyze 2-(benzimidazol-1-id-2-yl)benzimidazol-1-ide;bis(5,6-dimethyl-1,10-phenanthroline);2-(4-formyloxy-2-pyridinyl)pyridine-4-carboxylate;2-(4-formyloxy-2-pyridinyl)pyridine-4-carboxylic acid;bis(ruthenium(1+)) 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

CID 157919034
CID 157919034
1-(5-Fluoro-2-pyridinyl)indole-5-carboxylic acid;1-(6-methoxy-3-pyridinyl)indole-5-carboxylic acid;1-(2-methylpyrimidin-4-yl)indole-5-carboxylic acid;1-pyridin-2-ylindole-5-carboxylic acid;1-pyridin-3-ylindole-5-carboxylic acid;1-pyridin-4-ylindole-5-carboxylic acid;1-pyrimidin-5-ylindole-5-carboxylic acid;1-[5-(trifluoromethyl)-2-pyridinyl]indole-5-carboxylic acid;1-[6-(trifluoromethyl)-3-pyridinyl]indole-5-carboxylic acid
CID 158411968
2-(3,5-dimethylbenzene-6-id-1-yl)-5-(2-methylpropyl)quinoline;1-[2,4-di(propan-2-yl)dibenzofuran-1-yl]-2-phenylimidazole;1-[2,4-di(propan-2-yl)dibenzofuran-3-yl]-2-phenylimidazole;bis(1-[2,6-di(propan-2-yl)phenyl]-2-phenylimidazole);4-hydroxypent-3-en-2-one;pentakis(iridium);2-methyl-8-[4-(4-propan-2-ylphenyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;2-methyl-8-pyridin-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;2-phenylpyridine;2-phenyl-5-(trifluoromethyl)pyridine
CID 158868747
2-(benzimidazol-1-id-2-yl)benzimidazol-1-ide;2-(4-formyloxy-2-pyridinyl)pyridine-4-carboxylate;2-(4-formyloxy-2-pyridinyl)pyridine-4-carboxylic acid;ruthenium(1+);ruthenium(2+);3,4,7,8-tetramethyl-10H-benzo[h]quinolin-10-ide;3,4,7,8-tetramethyl-1,10-phenanthroline
CID 58239566
2-(1H-benzimidazol-2-yl)-1H-benzimidazole;2-(4-formyloxy-2-pyridinyl)pyridine-4-carboxylate;2-(4-formyloxy-2-pyridinyl)pyridine-4-carboxylic acid;ruthenium
CID 58239568
2-(Benzimidazol-1-id-2-yl)benzimidazol-1-ide;2-(4-formyloxy-2-pyridinyl)pyridine-4-carboxylate;2-(4-formyloxy-2-pyridinyl)pyridine-4-carboxylic acid;bis(1,10-phenanthroline);bis(ruthenium(1+))
CID 58239573
2-(Benzimidazol-1-id-2-yl)benzimidazol-1-ide;bis(4,7-dimethyl-1,10-phenanthroline);2-(4-formyloxy-2-pyridinyl)pyridine-4-carboxylate;2-(4-formyloxy-2-pyridinyl)pyridine-4-carboxylic acid;ruthenium;ruthenium(2+)
CID 58239579
2-(Benzimidazol-1-id-2-yl)benzimidazol-1-ide;bis(4,7-diphenyl-1,10-phenanthroline);2-(4-formyloxy-2-pyridinyl)pyridine-4-carboxylate;2-(4-formyloxy-2-pyridinyl)pyridine-4-carboxylic acid;bis(ruthenium(1+))
CID 58239586
(7-Formyloxy-1,10-phenanthrolin-4-yl) formate;1,10-phenanthroline-4,7-dicarboxylic acid;2-phenylpyridine;ruthenium(1+)
CID 58321400
2-(Benzimidazol-1-id-2-yl)benzimidazol-1-ide;bis(4-tert-butyl-2-(4-tert-butyl-2-pyridinyl)pyridine);2-(4-formyloxy-2-pyridinyl)pyridine-4-carboxylate;2-(4-formyloxy-2-pyridinyl)pyridine-4-carboxylic acid;bis(ruthenium(1+))
CID 58420822
2-(Benzimidazol-1-id-2-yl)benzimidazol-1-ide;2-(4-formyloxy-2-pyridinyl)pyridine-4-carboxylate;2-(4-formyloxy-2-pyridinyl)pyridine-4-carboxylic acid;bis(2-pyridin-2-ylpyridine);bis(ruthenium(1+))
CID 58420823
2-(Benzimidazol-1-id-2-yl)benzimidazol-1-ide;2-(4-formyloxy-2-pyridinyl)pyridine-4-carboxylate;2-(4-formyloxy-2-pyridinyl)pyridine-4-carboxylic acid;bis(4-methyl-2-(4-methyl-2-pyridinyl)pyridine);bis(ruthenium(1+))
CID 58420824

Frequently Asked Questions

What is the IUPAC name of 2-(benzimidazol-1-id-2-yl)benzimidazol-1-ide;bis(5,6-dimethyl-1,10-phenanthroline);2-(4-formyloxy-2-pyridinyl)pyridine-4-carboxylate;2-(4-formyloxy-2-pyridinyl)pyridine-4-carboxylic acid;bis(ruthenium(1+))?
The IUPAC name of 2-(benzimidazol-1-id-2-yl)benzimidazol-1-ide;bis(5,6-dimethyl-1,10-phenanthroline);2-(4-formyloxy-2-pyridinyl)pyridine-4-carboxylate;2-(4-formyloxy-2-pyridinyl)pyridine-4-carboxylic acid;bis(ruthenium(1+)) (CID 58239580) is 2-(benzimidazol-1-id-2-yl)benzimidazol-1-ide;bis(5,6-dimethyl-1,10-phenanthroline);2-(4-formyloxy-2-pyridinyl)pyridine-4-carboxylate;2-(4-formyloxy-2-pyridinyl)pyridine-4-carboxylic acid;bis(ruthenium(1+)).
What is the SMILES notation for 2-(benzimidazol-1-id-2-yl)benzimidazol-1-ide;bis(5,6-dimethyl-1,10-phenanthroline);2-(4-formyloxy-2-pyridinyl)pyridine-4-carboxylate;2-(4-formyloxy-2-pyridinyl)pyridine-4-carboxylic acid;bis(ruthenium(1+))?
The canonical SMILES for 2-(benzimidazol-1-id-2-yl)benzimidazol-1-ide;bis(5,6-dimethyl-1,10-phenanthroline);2-(4-formyloxy-2-pyridinyl)pyridine-4-carboxylate;2-(4-formyloxy-2-pyridinyl)pyridine-4-carboxylic acid;bis(ruthenium(1+)) is Cc1c(C)c2cccnc2c2ncccc12.Cc1c(C)c2cccnc2c2ncccc12.O=COc1ccnc(-c2cc(C(=O)O)ccn2)c1.O=COc1ccnc(-c2cc(C(=O)[O-])ccn2)c1.[Ru+].[Ru+].c1ccc2[n-]c(-c3nc4ccccc4[n-]3)nc2c1.
What is the InChIKey of 2-(benzimidazol-1-id-2-yl)benzimidazol-1-ide;bis(5,6-dimethyl-1,10-phenanthroline);2-(4-formyloxy-2-pyridinyl)pyridine-4-carboxylate;2-(4-formyloxy-2-pyridinyl)pyridine-4-carboxylic acid;bis(ruthenium(1+))?
The InChIKey is YEWJVONHONUDHX-UHFFFAOYSA-M. The full InChI is InChI=1S/C14H8N4.2C14H12N2.2C12H8N2O4.2Ru/c1-2-6-10-9(5-1)15-13(16-10)14-17-11-7-3-4-8-12(11)18-14;2*1-9-10(2)12-6-4-8-16-14(12)13-11(9)5-3-7-15-13;2*15-7-18-9-2-4-14-11(6-9)10-5-8(12(16)17)1-3-13-10;;/h1-8H;2*3-8H,1-2H3;2*1-7H,(H,16,17);;/q-2;;;;;2*+1/p-1.
What are the key properties of 2-(benzimidazol-1-id-2-yl)benzimidazol-1-ide;bis(5,6-dimethyl-1,10-phenanthroline);2-(4-formyloxy-2-pyridinyl)pyridine-4-carboxylate;2-(4-formyloxy-2-pyridinyl)pyridine-4-carboxylic acid;bis(ruthenium(1+))?
2-(benzimidazol-1-id-2-yl)benzimidazol-1-ide;bis(5,6-dimethyl-1,10-phenanthroline);2-(4-formyloxy-2-pyridinyl)pyridine-4-carboxylate;2-(4-formyloxy-2-pyridinyl)pyridine-4-carboxylic acid;bis(ruthenium(1+)) has a molecular weight of 1338.32 g/mol, XLogP of 10.58, 9 rotatable bonds, 1 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzimidazol-1-id-2-yl)benzimidazol-1-ide;bis(5,6-dimethyl-1,10-phenanthroline);2-(4-formyloxy-2-pyridinyl)pyridine-4-carboxylate;2-(4-formyloxy-2-pyridinyl)pyridine-4-carboxylic acid;bis(ruthenium(1+)) is sourced from PubChem (CID 58239580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).