bis(2-[6-(benzimidazol-1-id-2-yl)-2-pyridinyl]benzimidazol-1-ide);bromosilver;chlorogold;bis(1,3-dihexyl-2H-imidazol-2-ide);gold(3+);trifluoromethanesulfonate

C69H80AgAu2BrClF3N14O3S-4 — CID 157426389

IUPACbis(2-[6-(benzimidazol-1-id-2-yl)-2-pyridinyl]benzimidazol-1-ide);bromosilver;chlorogold;bis(1,3-dihexyl-2H-imidazol-2-ide);gold(3+);trifluoromethanesulfonate
SMILESBr[Ag].CCCCCCN1C=CN(CCCCCC)[CH-]1.CCCCCCN1C=CN(CCCCCC)[CH-]1.Cl[Au].O=S(=O)([O-])C(F)(F)F.[Au+3].c1cc(-c2nc3ccccc3[n-]2)nc(-c2nc3ccccc3[n-]2)c1.c1cc(-c2nc3ccccc3[n-]2)nc(-c2nc3ccccc3[n-]2)c1
InChIInChI=1S/2C19H11N5.2C15H29N2.CHF3O3S.Ag.2Au.BrH.ClH/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;2*1-3-5-7-9-11-16-13-14-17(15-16)12-10-8-6-4-2;2-1(3,4)8(5,6)7;;;;;/h2*1-11H;2*13-15H,3-12H2,1-2H3;(H,5,6,7);;;;2*1H/q2*-2;2*-1;;2*+1;+3;;/p-3
InChIKeyYZJRUJRMHQEIPN-UHFFFAOYSA-K
MW1859.71 g/mol
LogP17.14
Rot. Bonds24

About bis(2-[6-(benzimidazol-1-id-2-yl)-2-pyridinyl]benzimidazol-1-ide);bromosilver;chlorogold;bis(1,3-dihexyl-2H-imidazol-2-ide);gold(3+);trifluoromethanesulfonate

bis(2-[6-(benzimidazol-1-id-2-yl)-2-pyridinyl]benzimidazol-1-ide);bromosilver;chlorogold;bis(1,3-dihexyl-2H-imidazol-2-ide);gold(3+);trifluoromethanesulfonate (PubChem CID 157426389) has the molecular formula C69H80AgAu2BrClF3N14O3S-4 and a molecular weight of 1859.71 g/mol. Its IUPAC name is bis(2-[6-(benzimidazol-1-id-2-yl)-2-pyridinyl]benzimidazol-1-ide);bromosilver;chlorogold;bis(1,3-dihexyl-2H-imidazol-2-ide);gold(3+);trifluoromethanesulfonate.

Molecular Properties

Compound Namebis(2-[6-(benzimidazol-1-id-2-yl)-2-pyridinyl]benzimidazol-1-ide);bromosilver;chlorogold;bis(1,3-dihexyl-2H-imidazol-2-ide);gold(3+);trifluoromethanesulfonate
PubChem CID157426389
Molecular FormulaC69H80AgAu2BrClF3N14O3S-4
Molecular Weight1859.71 g/mol
Exact Mass1856.35
IUPAC Namebis(2-[6-(benzimidazol-1-id-2-yl)-2-pyridinyl]benzimidazol-1-ide);bromosilver;chlorogold;bis(1,3-dihexyl-2H-imidazol-2-ide);gold(3+);trifluoromethanesulfonate
SMILESBr[Ag].CCCCCCN1C=CN(CCCCCC)[CH-]1.CCCCCCN1C=CN(CCCCCC)[CH-]1.Cl[Au].O=S(=O)([O-])C(F)(F)F.[Au+3].c1cc(-c2nc3ccccc3[n-]2)nc(-c2nc3ccccc3[n-]2)c1.c1cc(-c2nc3ccccc3[n-]2)nc(-c2nc3ccccc3[n-]2)c1
InChIInChI=1S/2C19H11N5.2C15H29N2.CHF3O3S.Ag.2Au.BrH.ClH/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;2*1-3-5-7-9-11-16-13-14-17(15-16)12-10-8-6-4-2;2-1(3,4)8(5,6)7;;;;;/h2*1-11H;2*13-15H,3-12H2,1-2H3;(H,5,6,7);;;;2*1H/q2*-2;2*-1;;2*+1;+3;;/p-3
InChIKeyYZJRUJRMHQEIPN-UHFFFAOYSA-K
XLogP17.14
TPSA203.90 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds24
Heavy Atoms95
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001859.71
LogP ≤ 517.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}, {'alert_name': 'triflate', 'substructure': 'N/A'}

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Related Compounds

manganese(2+);N-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]-1-[(2S)-1-[(1-methylbenzimidazol-2-yl)methyl]pyrrolidin-2-yl]methanamine;bis(trifluoromethanesulfonate)
CID 139041827
CID 139052210
CID 139052210
Acetonitrile;(9,15,30-triethyl-1-fluoro-9,12,15,30-tetraza-2,22,23-triazonia-1-germanuidaoctacyclo[10.10.10.02,10.03,8.014,22.016,21.023,31.024,29]dotriaconta-2(10),3,5,7,14(22),16,18,20,23(31),24,26,28-dodecaen-1-yl) trifluoromethanesulfonate;bis(trifluoromethanesulfonate)
CID 139188548
Oxidanium;acetonitrile;1-ethyl-2-[6-(1-ethylbenzimidazol-2-yl)-2-pyridinyl]benzimidazole;lutetium(3+);tris(trifluoromethanesulfonate)
CID 168336729
Dicopper;tetraoxidanium;bis(1-methyl-2-[6-(1-methylbenzimidazol-2-yl)-2-pyridinyl]benzimidazole);tetrakis(trifluoromethanesulfonate)
CID 168348705
dichloromethane;iron(4+);1-methyl-2-[[(2S)-2-[(2S)-1-[(1-methylbenzimidazol-2-yl)methyl]pyrrolidin-2-yl]pyrrolidin-1-yl]methyl]benzimidazole;bis(trifluoromethanesulfonate)
CID 168348999
N-[(1-ethylbenzimidazol-2-yl)methyl]-1-[(2S)-1-[(1-ethylbenzimidazol-2-yl)methyl]pyrrolidin-2-yl]-N-methylmethanamine;iron(2+);bis(trifluoromethanesulfonic acid)
CID 176431420
1-ethyl-2-[[2-[(2R)-1-[(1-ethylbenzimidazol-2-yl)methyl]pyrrolidin-2-yl]pyrrolidin-1-yl]methyl]benzimidazole;manganese(2+);bis(trifluoromethanesulfonic acid)
CID 142284144
1-ethyl-2-[[(2R)-2-[(2R)-1-[(1-ethylbenzimidazol-2-yl)methyl]pyrrolidin-2-yl]pyrrolidin-1-yl]methyl]benzimidazole;manganese(2+);bis(trifluoromethanesulfonic acid)
CID 142284146
1-ethyl-2-[[2-[(2R)-1-[(1-ethylbenzimidazol-2-yl)methyl]pyrrolidin-2-yl]pyrrolidin-1-yl]methyl]benzimidazole;manganese(2+);bis(trifluoromethanesulfonic acid)
CID 142284150
1-ethyl-2-[[2-[(2R)-1-[(1-ethylbenzimidazol-2-yl)methyl]pyrrolidin-2-yl]pyrrolidin-1-yl]methyl]benzimidazole;manganese(2+);trifluoromethanesulfonic acid;hydrate
CID 142284155
chlorogold;bis(2,6-di(imidazol-3-id-2-yl)pyridine);bis(1,3-dimethyl-2H-imidazol-2-ide);gold(3+);iodosilver;trifluoromethanesulfonate
CID 158641023

Frequently Asked Questions

What is the IUPAC name of bis(2-[6-(benzimidazol-1-id-2-yl)-2-pyridinyl]benzimidazol-1-ide);bromosilver;chlorogold;bis(1,3-dihexyl-2H-imidazol-2-ide);gold(3+);trifluoromethanesulfonate?
The IUPAC name of bis(2-[6-(benzimidazol-1-id-2-yl)-2-pyridinyl]benzimidazol-1-ide);bromosilver;chlorogold;bis(1,3-dihexyl-2H-imidazol-2-ide);gold(3+);trifluoromethanesulfonate (CID 157426389) is bis(2-[6-(benzimidazol-1-id-2-yl)-2-pyridinyl]benzimidazol-1-ide);bromosilver;chlorogold;bis(1,3-dihexyl-2H-imidazol-2-ide);gold(3+);trifluoromethanesulfonate.
What is the SMILES notation for bis(2-[6-(benzimidazol-1-id-2-yl)-2-pyridinyl]benzimidazol-1-ide);bromosilver;chlorogold;bis(1,3-dihexyl-2H-imidazol-2-ide);gold(3+);trifluoromethanesulfonate?
The canonical SMILES for bis(2-[6-(benzimidazol-1-id-2-yl)-2-pyridinyl]benzimidazol-1-ide);bromosilver;chlorogold;bis(1,3-dihexyl-2H-imidazol-2-ide);gold(3+);trifluoromethanesulfonate is Br[Ag].CCCCCCN1C=CN(CCCCCC)[CH-]1.CCCCCCN1C=CN(CCCCCC)[CH-]1.Cl[Au].O=S(=O)([O-])C(F)(F)F.[Au+3].c1cc(-c2nc3ccccc3[n-]2)nc(-c2nc3ccccc3[n-]2)c1.c1cc(-c2nc3ccccc3[n-]2)nc(-c2nc3ccccc3[n-]2)c1.
What is the InChIKey of bis(2-[6-(benzimidazol-1-id-2-yl)-2-pyridinyl]benzimidazol-1-ide);bromosilver;chlorogold;bis(1,3-dihexyl-2H-imidazol-2-ide);gold(3+);trifluoromethanesulfonate?
The InChIKey is YZJRUJRMHQEIPN-UHFFFAOYSA-K. The full InChI is InChI=1S/2C19H11N5.2C15H29N2.CHF3O3S.Ag.2Au.BrH.ClH/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;2*1-3-5-7-9-11-16-13-14-17(15-16)12-10-8-6-4-2;2-1(3,4)8(5,6)7;;;;;/h2*1-11H;2*13-15H,3-12H2,1-2H3;(H,5,6,7);;;;2*1H/q2*-2;2*-1;;2*+1;+3;;/p-3.
What are the key properties of bis(2-[6-(benzimidazol-1-id-2-yl)-2-pyridinyl]benzimidazol-1-ide);bromosilver;chlorogold;bis(1,3-dihexyl-2H-imidazol-2-ide);gold(3+);trifluoromethanesulfonate?
bis(2-[6-(benzimidazol-1-id-2-yl)-2-pyridinyl]benzimidazol-1-ide);bromosilver;chlorogold;bis(1,3-dihexyl-2H-imidazol-2-ide);gold(3+);trifluoromethanesulfonate has a molecular weight of 1859.71 g/mol, XLogP of 17.14, 24 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-[6-(benzimidazol-1-id-2-yl)-2-pyridinyl]benzimidazol-1-ide);bromosilver;chlorogold;bis(1,3-dihexyl-2H-imidazol-2-ide);gold(3+);trifluoromethanesulfonate is sourced from PubChem (CID 157426389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).