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

C52H35Ir5N16O2S-5 — CID 158415960

IUPAC2-(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
SMILESCn1ccnc1-c1nc2ccccc2[n-]1.O=c1cc[n-]c(-c2ccccn2)c1.[Ir].[Ir].[Ir].[Ir].[Ir].c1ccc2[n-]c(-c3cscn3)nc2c1.c1ccc2[n-]c(-c3ncco3)nc2c1.c1cnc(-c2nc3ccccc3[n-]2)nc1
InChIInChI=1S/C11H9N4.C11H7N4.C10H6N3O.C10H6N3S.C10H8N2O.5Ir/c1-15-7-6-12-11(15)10-13-8-4-2-3-5-9(8)14-10;1-2-5-9-8(4-1)14-11(15-9)10-12-6-3-7-13-10;1-2-4-8-7(3-1)12-9(13-8)10-11-5-6-14-10;1-2-4-8-7(3-1)12-10(13-8)9-5-14-6-11-9;13-8-4-6-12-10(7-8)9-3-1-2-5-11-9;;;;;/h2-7H,1H3;1-7H;2*1-6H;1-7H,(H,12,13);;;;;/q4*-1;;;;;;/p-1
InChIKeySGFXFVWPIDCUSU-UHFFFAOYSA-M
MW1909.11 g/mol
LogP8.46
Rot. Bonds5

About 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

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 (PubChem CID 158415960) has the molecular formula C52H35Ir5N16O2S-5 and a molecular weight of 1909.11 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-(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
PubChem CID158415960
Molecular FormulaC52H35Ir5N16O2S-5
Molecular Weight1909.11 g/mol
Exact Mass1912.10
IUPAC Name2-(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
SMILESCn1ccnc1-c1nc2ccccc2[n-]1.O=c1cc[n-]c(-c2ccccn2)c1.[Ir].[Ir].[Ir].[Ir].[Ir].c1ccc2[n-]c(-c3cscn3)nc2c1.c1ccc2[n-]c(-c3ncco3)nc2c1.c1cnc(-c2nc3ccccc3[n-]2)nc1
InChIInChI=1S/C11H9N4.C11H7N4.C10H6N3O.C10H6N3S.C10H8N2O.5Ir/c1-15-7-6-12-11(15)10-13-8-4-2-3-5-9(8)14-10;1-2-5-9-8(4-1)14-11(15-9)10-12-6-3-7-13-10;1-2-4-8-7(3-1)12-9(13-8)10-11-5-6-14-10;1-2-4-8-7(3-1)12-10(13-8)9-5-14-6-11-9;13-8-4-6-12-10(7-8)9-3-1-2-5-11-9;;;;;/h2-7H,1H3;1-7H;2*1-6H;1-7H,(H,12,13);;;;;/q4*-1;;;;;;/p-1
InChIKeySGFXFVWPIDCUSU-UHFFFAOYSA-M
XLogP8.46
TPSA234.54 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds5
Heavy Atoms76
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001909.11
LogP ≤ 58.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Analyze 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 with MolForge

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Related Compounds

2-(2,4-Difluorobenzene-6-id-1-yl)pyridine;tetrakis(iridium);2-phenyl-1,3-benzothiazole;2-phenyl-1,3-oxazole;bis(1-phenylpyrazole);1-phenyltriazole;platinum;2-[3-(trifluoromethyl)benzene-6-id-1-yl]pyridine;1,4,5-trimethyl-2-phenylimidazole
CID 161788827
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
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
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
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
2-(Benzimidazol-1-id-2-yl)-1,3-oxazole;2-(benzimidazol-1-id-2-yl)-1,3-thiazole;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 159159980
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;2-(1-methylimidazol-2-yl)benzimidazol-1-ide;platinum
CID 159264830
1,2-Dimethylbenzimidazole;bis(2,3-dimethylimidazo[1,2-a]pyridine);bis(2,3-dimethylimidazo[1,2-a]pyrimidine);ethane;2-methyl-1,3-oxazole;2-methyl-1,3-thiazole;3,4,5-trimethyl-1,2,4-triazole
CID 159496902
2-(Benzimidazol-1-id-2-yl)-1-methylbenzimidazole;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 159808546
2-(Benzimidazol-1-id-2-yl)-1-methylbenzimidazole;4-(benzimidazol-1-id-2-yl)-1,3-thiazole;pentakis(iridium);2-pyridin-2-ylpyridin-1-id-4-one;2-pyrimidin-2-ylbenzimidazol-1-ide;2-(1,3,5-triazin-2-yl)benzimidazol-1-ide
CID 159983672
2-(Benzimidazol-1-id-2-yl)-1-methylbenzimidazole;2-(benzimidazol-1-id-2-yl)-1,3-oxazole;4-(benzimidazol-1-id-2-yl)-1,3-thiazole;2-(1-methylimidazol-2-yl)benzimidazol-1-ide;platinum;2-pyridin-2-ylpyridin-1-id-4-one
CID 161322153
2-(Benzimidazol-1-id-2-yl)-1-methylbenzimidazole;4-(benzimidazol-1-id-2-yl)-1,3-thiazole;platinum;2-pyridin-2-ylpyridin-1-id-4-one;2-pyrimidin-2-ylbenzimidazol-1-ide;2-(1,3,5-triazin-2-yl)benzimidazol-1-ide
CID 161447710

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cn1ccnc1-c1nc2ccccc2[n-]1.O=c1cc[n-]c(-c2ccccn2)c1.[Ir].[Ir].[Ir].[Ir].[Ir].c1ccc2[n-]c(-c3cscn3)nc2c1.c1ccc2[n-]c(-c3ncco3)nc2c1.c1cnc(-c2nc3ccccc3[n-]2)nc1.
What is the InChIKey of 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?
The InChIKey is SGFXFVWPIDCUSU-UHFFFAOYSA-M. The full InChI is InChI=1S/C11H9N4.C11H7N4.C10H6N3O.C10H6N3S.C10H8N2O.5Ir/c1-15-7-6-12-11(15)10-13-8-4-2-3-5-9(8)14-10;1-2-5-9-8(4-1)14-11(15-9)10-12-6-3-7-13-10;1-2-4-8-7(3-1)12-9(13-8)10-11-5-6-14-10;1-2-4-8-7(3-1)12-10(13-8)9-5-14-6-11-9;13-8-4-6-12-10(7-8)9-3-1-2-5-11-9;;;;;/h2-7H,1H3;1-7H;2*1-6H;1-7H,(H,12,13);;;;;/q4*-1;;;;;;/p-1.
What are the key properties of 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?
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 has a molecular weight of 1909.11 g/mol, XLogP of 8.46, 5 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 158415960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).