2-(benzimidazol-1-id-2-yl)-1-methylbenzimidazole;2-(benzimidazol-1-id-2-yl)-1,3-oxazole;2-(benzimidazol-1-id-2-yl)-1,3-thiazole;hexakis(iridium);2-(1-methylimidazol-2-yl)benzimidazol-1-ide;2-pyridin-2-ylimidazo[4,5-b]pyridin-3-ide;2-(4,4,5,5-tetramethylimidazol-3-id-2-yl)pyridine

C69H55Ir6N21OS-6 — CID 158996163

IUPAC2-(benzimidazol-1-id-2-yl)-1-methylbenzimidazole;2-(benzimidazol-1-id-2-yl)-1,3-oxazole;2-(benzimidazol-1-id-2-yl)-1,3-thiazole;hexakis(iridium);2-(1-methylimidazol-2-yl)benzimidazol-1-ide;2-pyridin-2-ylimidazo[4,5-b]pyridin-3-ide;2-(4,4,5,5-tetramethylimidazol-3-id-2-yl)pyridine
SMILESCC1(C)N=C(c2ccccn2)[N-]C1(C)C.Cn1c(-c2nc3ccccc3[n-]2)nc2ccccc21.Cn1ccnc1-c1nc2ccccc2[n-]1.[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].c1ccc(-c2nc3cccnc3[n-]2)nc1.c1ccc2[n-]c(-c3ncco3)nc2c1.c1ccc2[n-]c(-c3nccs3)nc2c1
InChIInChI=1S/C15H11N4.C12H16N3.C11H9N4.C11H7N4.C10H6N3O.C10H6N3S.6Ir/c1-19-13-9-5-4-8-12(13)18-15(19)14-16-10-6-2-3-7-11(10)17-14;1-11(2)12(3,4)15-10(14-11)9-7-5-6-8-13-9;1-15-7-6-12-11(15)10-13-8-4-2-3-5-9(8)14-10;1-2-6-12-8(4-1)11-14-9-5-3-7-13-10(9)15-11;2*1-2-4-8-7(3-1)12-9(13-8)10-11-5-6-14-10;;;;;;/h2-9H,1H3;5-8H,1-4H3;2-7H,1H3;1-7H;2*1-6H;;;;;;/q6*-1;;;;;;
InChIKeyGBPDFEPPTBWNBM-UHFFFAOYSA-N
MW2379.71 g/mol
LogP12.91
Rot. Bonds6

About 2-(benzimidazol-1-id-2-yl)-1-methylbenzimidazole;2-(benzimidazol-1-id-2-yl)-1,3-oxazole;2-(benzimidazol-1-id-2-yl)-1,3-thiazole;hexakis(iridium);2-(1-methylimidazol-2-yl)benzimidazol-1-ide;2-pyridin-2-ylimidazo[4,5-b]pyridin-3-ide;2-(4,4,5,5-tetramethylimidazol-3-id-2-yl)pyridine

2-(benzimidazol-1-id-2-yl)-1-methylbenzimidazole;2-(benzimidazol-1-id-2-yl)-1,3-oxazole;2-(benzimidazol-1-id-2-yl)-1,3-thiazole;hexakis(iridium);2-(1-methylimidazol-2-yl)benzimidazol-1-ide;2-pyridin-2-ylimidazo[4,5-b]pyridin-3-ide;2-(4,4,5,5-tetramethylimidazol-3-id-2-yl)pyridine (PubChem CID 158996163) has the molecular formula C69H55Ir6N21OS-6 and a molecular weight of 2379.71 g/mol. Its IUPAC name is 2-(benzimidazol-1-id-2-yl)-1-methylbenzimidazole;2-(benzimidazol-1-id-2-yl)-1,3-oxazole;2-(benzimidazol-1-id-2-yl)-1,3-thiazole;hexakis(iridium);2-(1-methylimidazol-2-yl)benzimidazol-1-ide;2-pyridin-2-ylimidazo[4,5-b]pyridin-3-ide;2-(4,4,5,5-tetramethylimidazol-3-id-2-yl)pyridine.

Molecular Properties

Compound Name2-(benzimidazol-1-id-2-yl)-1-methylbenzimidazole;2-(benzimidazol-1-id-2-yl)-1,3-oxazole;2-(benzimidazol-1-id-2-yl)-1,3-thiazole;hexakis(iridium);2-(1-methylimidazol-2-yl)benzimidazol-1-ide;2-pyridin-2-ylimidazo[4,5-b]pyridin-3-ide;2-(4,4,5,5-tetramethylimidazol-3-id-2-yl)pyridine
PubChem CID158996163
Molecular FormulaC69H55Ir6N21OS-6
Molecular Weight2379.71 g/mol
Exact Mass2383.24
IUPAC Name2-(benzimidazol-1-id-2-yl)-1-methylbenzimidazole;2-(benzimidazol-1-id-2-yl)-1,3-oxazole;2-(benzimidazol-1-id-2-yl)-1,3-thiazole;hexakis(iridium);2-(1-methylimidazol-2-yl)benzimidazol-1-ide;2-pyridin-2-ylimidazo[4,5-b]pyridin-3-ide;2-(4,4,5,5-tetramethylimidazol-3-id-2-yl)pyridine
SMILESCC1(C)N=C(c2ccccn2)[N-]C1(C)C.Cn1c(-c2nc3ccccc3[n-]2)nc2ccccc21.Cn1ccnc1-c1nc2ccccc2[n-]1.[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].c1ccc(-c2nc3cccnc3[n-]2)nc1.c1ccc2[n-]c(-c3ncco3)nc2c1.c1ccc2[n-]c(-c3nccs3)nc2c1
InChIInChI=1S/C15H11N4.C12H16N3.C11H9N4.C11H7N4.C10H6N3O.C10H6N3S.6Ir/c1-19-13-9-5-4-8-12(13)18-15(19)14-16-10-6-2-3-7-11(10)17-14;1-11(2)12(3,4)15-10(14-11)9-7-5-6-8-13-9;1-15-7-6-12-11(15)10-13-8-4-2-3-5-9(8)14-10;1-2-6-12-8(4-1)11-14-9-5-3-7-13-10(9)15-11;2*1-2-4-8-7(3-1)12-9(13-8)10-11-5-6-14-10;;;;;;/h2-9H,1H3;5-8H,1-4H3;2-7H,1H3;1-7H;2*1-6H;;;;;;/q6*-1;;;;;;
InChIKeyGBPDFEPPTBWNBM-UHFFFAOYSA-N
XLogP12.91
TPSA274.64 Ų
H-Bond Donors
H-Bond Acceptors17
Rotatable Bonds6
Heavy Atoms98
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002379.71
LogP ≤ 512.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1017

Analyze 2-(benzimidazol-1-id-2-yl)-1-methylbenzimidazole;2-(benzimidazol-1-id-2-yl)-1,3-oxazole;2-(benzimidazol-1-id-2-yl)-1,3-thiazole;hexakis(iridium);2-(1-methylimidazol-2-yl)benzimidazol-1-ide;2-pyridin-2-ylimidazo[4,5-b]pyridin-3-ide;2-(4,4,5,5-tetramethylimidazol-3-id-2-yl)pyridine with MolForge

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Related Compounds

[1,3]Oxazolo[3,2-a]benzimidazol-7-yl-diphenyl-([1,3]thiazolo[3,2-a]benzimidazol-7-yl)silane
CID 153462924
2,4-Bis(2,6-dimethylphenyl)-1,6-dimethyl-1,3,5-triazin-1-ium;2,3-dimethyl-1,3-oxazol-3-ium;1,2-dimethyl-3-phenylbenzimidazol-1-ium;1,2-dimethyl-3-phenylimidazol-1-ium;3,4-dimethyl-1-phenylimidazol-1-ium;2,3-dimethyl-1,3-thiazol-3-ium;1-[2,6-di(propan-2-yl)phenyl]-2,3-dimethylbenzimidazol-3-ium;1-[2,6-di(propan-2-yl)phenyl]-2,3-dimethylimidazol-3-ium
CID 157402023
2-(Benzimidazol-1-id-2-yl)-1,3-oxazole;2-(benzimidazol-1-id-2-yl)-1,3-thiazole;benzoyl(pyridine-2-carbonyl)azanide;pentakis(iridium);2-pyridin-2-ylimidazo[4,5-b]pyridin-3-ide;2-(4,4,5,5-tetramethylimidazol-3-id-2-yl)pyridine
CID 157413750
7-[4-[3-(3-Carbazol-9-ylcarbazol-9-yl)phenyl]-2-pyridinyl]-[1,3]oxazolo[3,2-a]benzimidazole;7-[3-[6-(3-carbazol-9-ylcarbazol-9-yl)-2-pyridinyl]phenyl]-[1,3]oxazolo[3,2-a]benzimidazole;7-[3-[3-([1,3]thiazolo[3,2-a]benzimidazol-7-yl)phenyl]phenyl]-[1,3]oxazolo[3,2-a]benzimidazole
CID 157549107
2-(3-methyl-2H-imidazol-2-id-1-yl)-11-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)-1H-benzo[b][1]benzazepin-1-ide;2-(1-methylimidazol-2-yl)-11-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)-1H-benzo[b][1]benzazepin-1-ide;platinum;tris(platinum(2+));2-[11-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)-1H-benzo[b][1]benzazepin-1-id-2-yl]-1,3-oxazole;2-[11-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)-1H-benzo[b][1]benzazepin-1-id-2-yl]-1,3-thiazole
CID 157706845
CID 158206968
CID 158206968
2-(Benzimidazol-1-id-2-yl)-1,3-oxazole;2-(benzimidazol-1-id-2-yl)-1,3-thiazole;pentakis(iridium);2-(1-methylimidazol-2-yl)benzimidazol-1-ide;2-pyridin-2-ylimidazo[4,5-b]pyridin-3-ide;2-(4,4,5,5-tetramethylimidazol-3-id-2-yl)pyridine
CID 158245176
7-[3-([1,3]Oxazolo[3,2-a]benzimidazol-7-yl)phenyl]-[1,3]oxazolo[3,2-a]benzimidazole;7-[3-[3-([1,3]thiazolo[3,2-a]benzimidazol-7-yl)phenyl]phenyl]-[1,3]oxazolo[3,2-a]benzimidazole;7-[3-[6-([1,3]thiazolo[3,2-a]benzimidazol-7-yl)-2-pyridinyl]phenyl]-[1,3]oxazolo[3,2-a]benzimidazole
CID 158274199
2-(Benzimidazol-1-id-2-yl)-1,3-oxazole;4-(benzimidazol-1-id-2-yl)-1,3-thiazole;pentakis(iridium);2-(1-methylimidazol-2-yl)benzimidazol-1-ide;2-pyridin-2-ylpyridin-1-id-4-one;2-pyrimidin-2-ylbenzimidazol-1-ide
CID 158415960
2-(Benzimidazol-1-id-2-yl)-1,3-oxazole;2-(benzimidazol-1-id-2-yl)-1,3-thiazole;benzoyl(pyridine-2-carbonyl)azanide;2-(1-methylimidazol-2-yl)benzimidazol-1-ide;platinum;2-pyridin-2-ylimidazo[4,5-b]pyridin-3-ide;2-(4,4,5,5-tetramethylimidazol-3-id-2-yl)pyridine
CID 158485291
3-Methyl-11-thia-3,7,14-triaza-1-azoniapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2(10),4(9),5,7,13(18),14,16-octaene;3-phenyl-11-thia-3,7,14-triaza-1-azoniapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2(10),4(9),5,7,13(18),14,16-octaene;11-(trideuteriomethyl)-9-oxa-1,6,14-triaza-3,11-diazoniapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-2(10),3(8),4,6,11,13(18),14,16-octaene;3-(trideuteriomethyl)-11-thia-3,7,14-triaza-1-azoniapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2(10),4(9),5,7,13(18),14,16-octaene;11-(trideuteriomethyl)-9-thia-1,6,14-triaza-3,11-diazoniapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-2(10),3(8),4,6,11,13(18),14,16-octaene
CID 158836703
Bis([1,3]oxazolo[3,2-a]benzimidazol-7-yl)-diphenylsilane;bis(bis[3-([1,3]oxazolo[3,2-a]benzimidazol-7-yl)phenyl]-diphenylsilane);diphenyl-bis[3-([1,3]thiazolo[3,2-a]benzimidazol-7-yl)phenyl]silane;diphenyl-bis([1,3]thiazolo[3,2-a]benzimidazol-7-yl)silane
CID 158997601

Frequently Asked Questions

What is the IUPAC name of 2-(benzimidazol-1-id-2-yl)-1-methylbenzimidazole;2-(benzimidazol-1-id-2-yl)-1,3-oxazole;2-(benzimidazol-1-id-2-yl)-1,3-thiazole;hexakis(iridium);2-(1-methylimidazol-2-yl)benzimidazol-1-ide;2-pyridin-2-ylimidazo[4,5-b]pyridin-3-ide;2-(4,4,5,5-tetramethylimidazol-3-id-2-yl)pyridine?
The IUPAC name of 2-(benzimidazol-1-id-2-yl)-1-methylbenzimidazole;2-(benzimidazol-1-id-2-yl)-1,3-oxazole;2-(benzimidazol-1-id-2-yl)-1,3-thiazole;hexakis(iridium);2-(1-methylimidazol-2-yl)benzimidazol-1-ide;2-pyridin-2-ylimidazo[4,5-b]pyridin-3-ide;2-(4,4,5,5-tetramethylimidazol-3-id-2-yl)pyridine (CID 158996163) is 2-(benzimidazol-1-id-2-yl)-1-methylbenzimidazole;2-(benzimidazol-1-id-2-yl)-1,3-oxazole;2-(benzimidazol-1-id-2-yl)-1,3-thiazole;hexakis(iridium);2-(1-methylimidazol-2-yl)benzimidazol-1-ide;2-pyridin-2-ylimidazo[4,5-b]pyridin-3-ide;2-(4,4,5,5-tetramethylimidazol-3-id-2-yl)pyridine.
What is the SMILES notation for 2-(benzimidazol-1-id-2-yl)-1-methylbenzimidazole;2-(benzimidazol-1-id-2-yl)-1,3-oxazole;2-(benzimidazol-1-id-2-yl)-1,3-thiazole;hexakis(iridium);2-(1-methylimidazol-2-yl)benzimidazol-1-ide;2-pyridin-2-ylimidazo[4,5-b]pyridin-3-ide;2-(4,4,5,5-tetramethylimidazol-3-id-2-yl)pyridine?
The canonical SMILES for 2-(benzimidazol-1-id-2-yl)-1-methylbenzimidazole;2-(benzimidazol-1-id-2-yl)-1,3-oxazole;2-(benzimidazol-1-id-2-yl)-1,3-thiazole;hexakis(iridium);2-(1-methylimidazol-2-yl)benzimidazol-1-ide;2-pyridin-2-ylimidazo[4,5-b]pyridin-3-ide;2-(4,4,5,5-tetramethylimidazol-3-id-2-yl)pyridine is CC1(C)N=C(c2ccccn2)[N-]C1(C)C.Cn1c(-c2nc3ccccc3[n-]2)nc2ccccc21.Cn1ccnc1-c1nc2ccccc2[n-]1.[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].c1ccc(-c2nc3cccnc3[n-]2)nc1.c1ccc2[n-]c(-c3ncco3)nc2c1.c1ccc2[n-]c(-c3nccs3)nc2c1.
What is the InChIKey of 2-(benzimidazol-1-id-2-yl)-1-methylbenzimidazole;2-(benzimidazol-1-id-2-yl)-1,3-oxazole;2-(benzimidazol-1-id-2-yl)-1,3-thiazole;hexakis(iridium);2-(1-methylimidazol-2-yl)benzimidazol-1-ide;2-pyridin-2-ylimidazo[4,5-b]pyridin-3-ide;2-(4,4,5,5-tetramethylimidazol-3-id-2-yl)pyridine?
The InChIKey is GBPDFEPPTBWNBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N4.C12H16N3.C11H9N4.C11H7N4.C10H6N3O.C10H6N3S.6Ir/c1-19-13-9-5-4-8-12(13)18-15(19)14-16-10-6-2-3-7-11(10)17-14;1-11(2)12(3,4)15-10(14-11)9-7-5-6-8-13-9;1-15-7-6-12-11(15)10-13-8-4-2-3-5-9(8)14-10;1-2-6-12-8(4-1)11-14-9-5-3-7-13-10(9)15-11;2*1-2-4-8-7(3-1)12-9(13-8)10-11-5-6-14-10;;;;;;/h2-9H,1H3;5-8H,1-4H3;2-7H,1H3;1-7H;2*1-6H;;;;;;/q6*-1;;;;;;.
What are the key properties of 2-(benzimidazol-1-id-2-yl)-1-methylbenzimidazole;2-(benzimidazol-1-id-2-yl)-1,3-oxazole;2-(benzimidazol-1-id-2-yl)-1,3-thiazole;hexakis(iridium);2-(1-methylimidazol-2-yl)benzimidazol-1-ide;2-pyridin-2-ylimidazo[4,5-b]pyridin-3-ide;2-(4,4,5,5-tetramethylimidazol-3-id-2-yl)pyridine?
2-(benzimidazol-1-id-2-yl)-1-methylbenzimidazole;2-(benzimidazol-1-id-2-yl)-1,3-oxazole;2-(benzimidazol-1-id-2-yl)-1,3-thiazole;hexakis(iridium);2-(1-methylimidazol-2-yl)benzimidazol-1-ide;2-pyridin-2-ylimidazo[4,5-b]pyridin-3-ide;2-(4,4,5,5-tetramethylimidazol-3-id-2-yl)pyridine has a molecular weight of 2379.71 g/mol, XLogP of 12.91, 6 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzimidazol-1-id-2-yl)-1-methylbenzimidazole;2-(benzimidazol-1-id-2-yl)-1,3-oxazole;2-(benzimidazol-1-id-2-yl)-1,3-thiazole;hexakis(iridium);2-(1-methylimidazol-2-yl)benzimidazol-1-ide;2-pyridin-2-ylimidazo[4,5-b]pyridin-3-ide;2-(4,4,5,5-tetramethylimidazol-3-id-2-yl)pyridine is sourced from PubChem (CID 158996163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).