2-(1H-benzimidazol-2-yl)-1H-benzimidazole;[(1Z,3E)-5-(4-carboxy-2-pyridinyl)-3-methoxycarbonylpenta-1,3-dienyl]azanide;2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;ruthenium(1+)

C39H31N8O8Ru — CID 143914109

IUPAC2-(1H-benzimidazol-2-yl)-1H-benzimidazole;[(1Z,3E)-5-(4-carboxy-2-pyridinyl)-3-methoxycarbonylpenta-1,3-dienyl]azanide;2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;ruthenium(1+)
SMILESCOC(=O)C(/C=C\[NH-])=C/Cc1cc(C(=O)O)ccn1.O=C(O)c1ccnc(-c2cc(C(=O)O)ccn2)c1.[Ru+].c1ccc2[nH]c(-c3nc4ccccc4[nH]3)nc2c1
InChIInChI=1S/C14H10N4.C13H13N2O4.C12H8N2O4.Ru/c1-2-6-10-9(5-1)15-13(16-10)14-17-11-7-3-4-8-12(11)18-14;1-19-13(18)9(4-6-14)2-3-11-8-10(12(16)17)5-7-15-11;15-11(16)7-1-3-13-9(5-7)10-6-8(12(17)18)2-4-14-10;/h1-8H,(H,15,16)(H,17,18);2,4-8,14H,3H2,1H3,(H,16,17);1-6H,(H,15,16)(H,17,18);/q;-1;;+1/b;6-4-,9-2+;;
InChIKeyFMWOYPVHZOACSD-CNSNVQPASA-N
MW840.79 g/mol
LogP6.63
Rot. Bonds9

About 2-(1H-benzimidazol-2-yl)-1H-benzimidazole;[(1Z,3E)-5-(4-carboxy-2-pyridinyl)-3-methoxycarbonylpenta-1,3-dienyl]azanide;2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;ruthenium(1+)

2-(1H-benzimidazol-2-yl)-1H-benzimidazole;[(1Z,3E)-5-(4-carboxy-2-pyridinyl)-3-methoxycarbonylpenta-1,3-dienyl]azanide;2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;ruthenium(1+) (PubChem CID 143914109) has the molecular formula C39H31N8O8Ru and a molecular weight of 840.79 g/mol. Its IUPAC name is 2-(1H-benzimidazol-2-yl)-1H-benzimidazole;[(1Z,3E)-5-(4-carboxy-2-pyridinyl)-3-methoxycarbonylpenta-1,3-dienyl]azanide;2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;ruthenium(1+).

Molecular Properties

Compound Name2-(1H-benzimidazol-2-yl)-1H-benzimidazole;[(1Z,3E)-5-(4-carboxy-2-pyridinyl)-3-methoxycarbonylpenta-1,3-dienyl]azanide;2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;ruthenium(1+)
PubChem CID143914109
Molecular FormulaC39H31N8O8Ru
Molecular Weight840.79 g/mol
Exact Mass841.13
IUPAC Name2-(1H-benzimidazol-2-yl)-1H-benzimidazole;[(1Z,3E)-5-(4-carboxy-2-pyridinyl)-3-methoxycarbonylpenta-1,3-dienyl]azanide;2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;ruthenium(1+)
SMILESCOC(=O)C(/C=C\[NH-])=C/Cc1cc(C(=O)O)ccn1.O=C(O)c1ccnc(-c2cc(C(=O)O)ccn2)c1.[Ru+].c1ccc2[nH]c(-c3nc4ccccc4[nH]3)nc2c1
InChIInChI=1S/C14H10N4.C13H13N2O4.C12H8N2O4.Ru/c1-2-6-10-9(5-1)15-13(16-10)14-17-11-7-3-4-8-12(11)18-14;1-19-13(18)9(4-6-14)2-3-11-8-10(12(16)17)5-7-15-11;15-11(16)7-1-3-13-9(5-7)10-6-8(12(17)18)2-4-14-10;/h1-8H,(H,15,16)(H,17,18);2,4-8,14H,3H2,1H3,(H,16,17);1-6H,(H,15,16)(H,17,18);/q;-1;;+1/b;6-4-,9-2+;;
InChIKeyFMWOYPVHZOACSD-CNSNVQPASA-N
XLogP6.63
TPSA258.03 Ų
H-Bond Donors5
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500840.79
LogP ≤ 56.63
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze 2-(1H-benzimidazol-2-yl)-1H-benzimidazole;[(1Z,3E)-5-(4-carboxy-2-pyridinyl)-3-methoxycarbonylpenta-1,3-dienyl]azanide;2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;ruthenium(1+) with MolForge

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Related Compounds

2-[[2-(1H-benzimidazol-2-ylamino)-3a,6a-dipyridin-2-yl-1,6-dihydroimidazo[4,5-d]imidazol-5-yl]amino]-3H-benzimidazole-5-carboxylic acid;2,2,2-trifluoroacetic acid
CID 19610984
2-[[5-[(6-carboxy-1H-benzimidazol-2-yl)amino]-3a,6a-dipyridin-2-yl-1,6-dihydroimidazo[4,5-d]imidazol-2-yl]amino]-3H-benzimidazole-5-carboxylic acid;2,2,2-trifluoroacetic acid
CID 88071998
2-(3-amino-4-imidazol-1-ylphenyl)-3H-benzimidazole-5-carboxylic acid
CID 139212870
2-(4,5-dihydroimidazo[1,2-a]quinoxalin-7-yl)-3H-benzimidazole-5-carboxylic acid
CID 139212872
2-imidazo[1,2-a]quinoxalin-7-yl-3H-benzimidazole-5-carboxylic acid
CID 139212874
1-(1H-benzimidazol-2-yl)-N,N-bis(1H-benzimidazol-2-ylmethyl)methanamine;methanol;nickel(3+);pyridine-4-carboxylate;perchlorate;hydrate
CID 168344195
2-[[2-(1H-benzimidazol-2-ylamino)-3a,6a-dipyridin-2-yl-1,6-dihydroimidazo[4,5-d]imidazol-5-yl]amino]-3H-benzimidazole-5-carboxylic acid
CID 19610985
2-[[5-[(6-carboxy-1H-benzimidazol-2-yl)amino]-3a,6a-dipyridin-2-yl-1,6-dihydroimidazo[4,5-d]imidazol-2-yl]amino]-3H-benzimidazole-5-carboxylic acid
CID 57181686
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;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-(1H-benzimidazol-2-yl)-1H-benzimidazole;[(1Z,3E)-5-(4-carboxy-2-pyridinyl)-3-methoxycarbonylpenta-1,3-dienyl]azanide;2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;ruthenium(1+)?
The IUPAC name of 2-(1H-benzimidazol-2-yl)-1H-benzimidazole;[(1Z,3E)-5-(4-carboxy-2-pyridinyl)-3-methoxycarbonylpenta-1,3-dienyl]azanide;2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;ruthenium(1+) (CID 143914109) is 2-(1H-benzimidazol-2-yl)-1H-benzimidazole;[(1Z,3E)-5-(4-carboxy-2-pyridinyl)-3-methoxycarbonylpenta-1,3-dienyl]azanide;2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;ruthenium(1+).
What is the SMILES notation for 2-(1H-benzimidazol-2-yl)-1H-benzimidazole;[(1Z,3E)-5-(4-carboxy-2-pyridinyl)-3-methoxycarbonylpenta-1,3-dienyl]azanide;2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;ruthenium(1+)?
The canonical SMILES for 2-(1H-benzimidazol-2-yl)-1H-benzimidazole;[(1Z,3E)-5-(4-carboxy-2-pyridinyl)-3-methoxycarbonylpenta-1,3-dienyl]azanide;2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;ruthenium(1+) is COC(=O)C(/C=C\[NH-])=C/Cc1cc(C(=O)O)ccn1.O=C(O)c1ccnc(-c2cc(C(=O)O)ccn2)c1.[Ru+].c1ccc2[nH]c(-c3nc4ccccc4[nH]3)nc2c1.
What is the InChIKey of 2-(1H-benzimidazol-2-yl)-1H-benzimidazole;[(1Z,3E)-5-(4-carboxy-2-pyridinyl)-3-methoxycarbonylpenta-1,3-dienyl]azanide;2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;ruthenium(1+)?
The InChIKey is FMWOYPVHZOACSD-CNSNVQPASA-N. The full InChI is InChI=1S/C14H10N4.C13H13N2O4.C12H8N2O4.Ru/c1-2-6-10-9(5-1)15-13(16-10)14-17-11-7-3-4-8-12(11)18-14;1-19-13(18)9(4-6-14)2-3-11-8-10(12(16)17)5-7-15-11;15-11(16)7-1-3-13-9(5-7)10-6-8(12(17)18)2-4-14-10;/h1-8H,(H,15,16)(H,17,18);2,4-8,14H,3H2,1H3,(H,16,17);1-6H,(H,15,16)(H,17,18);/q;-1;;+1/b;6-4-,9-2+;;.
What are the key properties of 2-(1H-benzimidazol-2-yl)-1H-benzimidazole;[(1Z,3E)-5-(4-carboxy-2-pyridinyl)-3-methoxycarbonylpenta-1,3-dienyl]azanide;2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;ruthenium(1+)?
2-(1H-benzimidazol-2-yl)-1H-benzimidazole;[(1Z,3E)-5-(4-carboxy-2-pyridinyl)-3-methoxycarbonylpenta-1,3-dienyl]azanide;2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;ruthenium(1+) has a molecular weight of 840.79 g/mol, XLogP of 6.63, 9 rotatable bonds, 5 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-benzimidazol-2-yl)-1H-benzimidazole;[(1Z,3E)-5-(4-carboxy-2-pyridinyl)-3-methoxycarbonylpenta-1,3-dienyl]azanide;2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;ruthenium(1+) is sourced from PubChem (CID 143914109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).