6-[1-(2,6-dimethylphenyl)imidazol-2-yl]-2-methyl-5H-[1,3]oxazolo[5,4-b]pyridin-5-ide;5-[1-(2,6-dimethyl-4-phenylphenyl)imidazol-2-yl]-2-methyl-6H-[1,3]oxazolo[4,5-b]pyridin-6-ide;5-[1-(2,6-diphenylphenyl)imidazol-2-yl]-2,3-dimethyl-6H-imidazo[4,5-b]pyrazin-6-ide;5-[1-[2,6-di(propan-2-yl)phenyl]-4,5-dimethylimidazol-2-yl]-2-methyl-6H-1,3-benzothiazol-6-ide;pentakis(iridium);2-methyl-5-(1-methylimidazol-2-yl)-6H-[1,3]oxazolo[4,5-b]pyridin-6-ide

C106H92Ir5N21O3S-5 — CID 158748496

About 6-[1-(2,6-dimethylphenyl)imidazol-2-yl]-2-methyl-5H-[1,3]oxazolo[5,4-b]pyridin-5-ide;5-[1-(2,6-dimethyl-4-phenylphenyl)imidazol-2-yl]-2-methyl-6H-[1,3]oxazolo[4,5-b]pyridin-6-ide;5-[1-(2,6-diphenylphenyl)imidazol-2-yl]-2,3-dimethyl-6H-imidazo[4,5-b]pyrazin-6-ide;5-[1-[2,6-di(propan-2-yl)phenyl]-4,5-dimethylimidazol-2-yl]-2-methyl-6H-1,3-benzothiazol-6-ide;pentakis(iridium);2-methyl-5-(1-methylimidazol-2-yl)-6H-[1,3]oxazolo[4,5-b]pyridin-6-ide

6-[1-(2,6-dimethylphenyl)imidazol-2-yl]-2-methyl-5H-[1,3]oxazolo[5,4-b]pyridin-5-ide;5-[1-(2,6-dimethyl-4-phenylphenyl)imidazol-2-yl]-2-methyl-6H-[1,3]oxazolo[4,5-b]pyridin-6-ide;5-[1-(2,6-diphenylphenyl)imidazol-2-yl]-2,3-dimethyl-6H-imidazo[4,5-b]pyrazin-6-ide;5-[1-[2,6-di(propan-2-yl)phenyl]-4,5-dimethylimidazol-2-yl]-2-methyl-6H-1,3-benzothiazol-6-ide;pentakis(iridium);2-methyl-5-(1-methylimidazol-2-yl)-6H-[1,3]oxazolo[4,5-b]pyridin-6-ide (PubChem CID 158748496) has the molecular formula C106H92Ir5N21O3S-5 and a molecular weight of 2701.20 g/mol. Its IUPAC name is 6-[1-(2,6-dimethylphenyl)imidazol-2-yl]-2-methyl-5H-[1,3]oxazolo[5,4-b]pyridin-5-ide;5-[1-(2,6-dimethyl-4-phenylphenyl)imidazol-2-yl]-2-methyl-6H-[1,3]oxazolo[4,5-b]pyridin-6-ide;5-[1-(2,6-diphenylphenyl)imidazol-2-yl]-2,3-dimethyl-6H-imidazo[4,5-b]pyrazin-6-ide;5-[1-[2,6-di(propan-2-yl)phenyl]-4,5-dimethylimidazol-2-yl]-2-methyl-6H-1,3-benzothiazol-6-ide;pentakis(iridium);2-methyl-5-(1-methylimidazol-2-yl)-6H-[1,3]oxazolo[4,5-b]pyridin-6-ide.

Molecular Properties

• Compound Name: 6-[1-(2,6-dimethylphenyl)imidazol-2-yl]-2-methyl-5H-[1,3]oxazolo[5,4-b]pyridin-5-ide;5-[1-(2,6-dimethyl-4-phenylphenyl)imidazol-2-yl]-2-methyl-6H-[1,3]oxazolo[4,5-b]pyridin-6-ide;5-[1-(2,6-diphenylphenyl)imidazol-2-yl]-2,3-dimethyl-6H-imidazo[4,5-b]pyrazin-6-ide;5-[1-[2,6-di(propan-2-yl)phenyl]-4,5-dimethylimidazol-2-yl]-2-methyl-6H-1,3-benzothiazol-6-ide;pentakis(iridium);2-methyl-5-(1-methylimidazol-2-yl)-6H-[1,3]oxazolo[4,5-b]pyridin-6-ide
• PubChem CID: 158748496
• Molecular Formula: C106H92Ir5N21O3S-5
• Molecular Weight: 2701.20 g/mol
• Exact Mass: 2703.56
• IUPAC Name: 6-[1-(2,6-dimethylphenyl)imidazol-2-yl]-2-methyl-5H-[1,3]oxazolo[5,4-b]pyridin-5-ide;5-[1-(2,6-dimethyl-4-phenylphenyl)imidazol-2-yl]-2-methyl-6H-[1,3]oxazolo[4,5-b]pyridin-6-ide;5-[1-(2,6-diphenylphenyl)imidazol-2-yl]-2,3-dimethyl-6H-imidazo[4,5-b]pyrazin-6-ide;5-[1-[2,6-di(propan-2-yl)phenyl]-4,5-dimethylimidazol-2-yl]-2-methyl-6H-1,3-benzothiazol-6-ide;pentakis(iridium);2-methyl-5-(1-methylimidazol-2-yl)-6H-[1,3]oxazolo[4,5-b]pyridin-6-ide
• SMILES: Cc1nc2cc(-c3nc(C)c(C)n3-c3c(C(C)C)cccc3C(C)C)[c-]cc2s1.Cc1nc2cc(-c3nccn3-c3c(C)cccc3C)[c-]nc2o1.Cc1nc2n[c-]c(-c3nccn3-c3c(-c4ccccc4)cccc3-c3ccccc3)nc2n1C.Cc1nc2nc(-c3nccn3-c3c(C)cc(-c4ccccc4)cc3C)[c-]cc2o1.Cc1nc2nc(-c3nccn3C)[c-]cc2o1.[Ir].[Ir].[Ir].[Ir].[Ir]
• InChI: InChI=1S/C28H21N6.C25H28N3S.C24H19N4O.C18H15N4O.C11H9N4O.5Ir/c1-19-31-26-28(33(19)2)32-24(18-30-26)27-29-16-17-34(27)25-22(20-10-5-3-6-11-20)14-9-15-23(25)21-12-7-4-8-13-21;1-14(2)20-9-8-10-21(15(3)4)24(20)28-17(6)16(5)26-25(28)19-11-12-23-22(13-19)27-18(7)29-23;1-15-13-19(18-7-5-4-6-8-18)14-16(2)22(15)28-12-11-25-24(28)20-9-10-21-23(27-20)26-17(3)29-21;1-11-5-4-6-12(2)16(11)22-8-7-19-17(22)14-9-15-18(20-10-14)23-13(3)21-15;1-7-13-10-9(16-7)4-3-8(14-10)11-12-5-6-15(11)2;;;;;/h3-17H,1-2H3;8-10,12-15H,1-7H3;4-8,10-14H,1-3H3;4-9H,1-3H3;4-6H,1-2H3;;;;;/q5*-1
• InChIKey: XPIDBAIJDMYRIJ-UHFFFAOYSA-N
• XLogP: 23.77
• TPSA: 262.35 Ų
• H-Bond Acceptors: 25
• Rotatable Bonds: 14
• Heavy Atoms: 136
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2701.20
LogP ≤ 5	23.77
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-[1-(2,6-dimethylphenyl)imidazol-2-yl]-2-methyl-5H-[1,3]oxazolo[5,4-b]pyridin-5-ide;5-[1-(2,6-dimethyl-4-phenylphenyl)imidazol-2-yl]-2-methyl-6H-[1,3]oxazolo[4,5-b]pyridin-6-ide;5-[1-(2,6-diphenylphenyl)imidazol-2-yl]-2,3-dimethyl-6H-imidazo[4,5-b]pyrazin-6-ide;5-[1-[2,6-di(propan-2-yl)phenyl]-4,5-dimethylimidazol-2-yl]-2-methyl-6H-1,3-benzothiazol-6-ide;pentakis(iridium);2-methyl-5-(1-methylimidazol-2-yl)-6H-[1,3]oxazolo[4,5-b]pyridin-6-ide?

The IUPAC name of 6-[1-(2,6-dimethylphenyl)imidazol-2-yl]-2-methyl-5H-[1,3]oxazolo[5,4-b]pyridin-5-ide;5-[1-(2,6-dimethyl-4-phenylphenyl)imidazol-2-yl]-2-methyl-6H-[1,3]oxazolo[4,5-b]pyridin-6-ide;5-[1-(2,6-diphenylphenyl)imidazol-2-yl]-2,3-dimethyl-6H-imidazo[4,5-b]pyrazin-6-ide;5-[1-[2,6-di(propan-2-yl)phenyl]-4,5-dimethylimidazol-2-yl]-2-methyl-6H-1,3-benzothiazol-6-ide;pentakis(iridium);2-methyl-5-(1-methylimidazol-2-yl)-6H-[1,3]oxazolo[4,5-b]pyridin-6-ide (CID 158748496) is 6-[1-(2,6-dimethylphenyl)imidazol-2-yl]-2-methyl-5H-[1,3]oxazolo[5,4-b]pyridin-5-ide;5-[1-(2,6-dimethyl-4-phenylphenyl)imidazol-2-yl]-2-methyl-6H-[1,3]oxazolo[4,5-b]pyridin-6-ide;5-[1-(2,6-diphenylphenyl)imidazol-2-yl]-2,3-dimethyl-6H-imidazo[4,5-b]pyrazin-6-ide;5-[1-[2,6-di(propan-2-yl)phenyl]-4,5-dimethylimidazol-2-yl]-2-methyl-6H-1,3-benzothiazol-6-ide;pentakis(iridium);2-methyl-5-(1-methylimidazol-2-yl)-6H-[1,3]oxazolo[4,5-b]pyridin-6-ide.

What is the SMILES notation for 6-[1-(2,6-dimethylphenyl)imidazol-2-yl]-2-methyl-5H-[1,3]oxazolo[5,4-b]pyridin-5-ide;5-[1-(2,6-dimethyl-4-phenylphenyl)imidazol-2-yl]-2-methyl-6H-[1,3]oxazolo[4,5-b]pyridin-6-ide;5-[1-(2,6-diphenylphenyl)imidazol-2-yl]-2,3-dimethyl-6H-imidazo[4,5-b]pyrazin-6-ide;5-[1-[2,6-di(propan-2-yl)phenyl]-4,5-dimethylimidazol-2-yl]-2-methyl-6H-1,3-benzothiazol-6-ide;pentakis(iridium);2-methyl-5-(1-methylimidazol-2-yl)-6H-[1,3]oxazolo[4,5-b]pyridin-6-ide?

The canonical SMILES for 6-[1-(2,6-dimethylphenyl)imidazol-2-yl]-2-methyl-5H-[1,3]oxazolo[5,4-b]pyridin-5-ide;5-[1-(2,6-dimethyl-4-phenylphenyl)imidazol-2-yl]-2-methyl-6H-[1,3]oxazolo[4,5-b]pyridin-6-ide;5-[1-(2,6-diphenylphenyl)imidazol-2-yl]-2,3-dimethyl-6H-imidazo[4,5-b]pyrazin-6-ide;5-[1-[2,6-di(propan-2-yl)phenyl]-4,5-dimethylimidazol-2-yl]-2-methyl-6H-1,3-benzothiazol-6-ide;pentakis(iridium);2-methyl-5-(1-methylimidazol-2-yl)-6H-[1,3]oxazolo[4,5-b]pyridin-6-ide is Cc1nc2cc(-c3nc(C)c(C)n3-c3c(C(C)C)cccc3C(C)C)[c-]cc2s1.Cc1nc2cc(-c3nccn3-c3c(C)cccc3C)[c-]nc2o1.Cc1nc2n[c-]c(-c3nccn3-c3c(-c4ccccc4)cccc3-c3ccccc3)nc2n1C.Cc1nc2nc(-c3nccn3-c3c(C)cc(-c4ccccc4)cc3C)[c-]cc2o1.Cc1nc2nc(-c3nccn3C)[c-]cc2o1.[Ir].[Ir].[Ir].[Ir].[Ir].

What is the InChIKey of 6-[1-(2,6-dimethylphenyl)imidazol-2-yl]-2-methyl-5H-[1,3]oxazolo[5,4-b]pyridin-5-ide;5-[1-(2,6-dimethyl-4-phenylphenyl)imidazol-2-yl]-2-methyl-6H-[1,3]oxazolo[4,5-b]pyridin-6-ide;5-[1-(2,6-diphenylphenyl)imidazol-2-yl]-2,3-dimethyl-6H-imidazo[4,5-b]pyrazin-6-ide;5-[1-[2,6-di(propan-2-yl)phenyl]-4,5-dimethylimidazol-2-yl]-2-methyl-6H-1,3-benzothiazol-6-ide;pentakis(iridium);2-methyl-5-(1-methylimidazol-2-yl)-6H-[1,3]oxazolo[4,5-b]pyridin-6-ide?

The InChIKey is XPIDBAIJDMYRIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H21N6.C25H28N3S.C24H19N4O.C18H15N4O.C11H9N4O.5Ir/c1-19-31-26-28(33(19)2)32-24(18-30-26)27-29-16-17-34(27)25-22(20-10-5-3-6-11-20)14-9-15-23(25)21-12-7-4-8-13-21;1-14(2)20-9-8-10-21(15(3)4)24(20)28-17(6)16(5)26-25(28)19-11-12-23-22(13-19)27-18(7)29-23;1-15-13-19(18-7-5-4-6-8-18)14-16(2)22(15)28-12-11-25-24(28)20-9-10-21-23(27-20)26-17(3)29-21;1-11-5-4-6-12(2)16(11)22-8-7-19-17(22)14-9-15-18(20-10-14)23-13(3)21-15;1-7-13-10-9(16-7)4-3-8(14-10)11-12-5-6-15(11)2;;;;;/h3-17H,1-2H3;8-10,12-15H,1-7H3;4-8,10-14H,1-3H3;4-9H,1-3H3;4-6H,1-2H3;;;;;/q5*-1;;;;;.

What are the key properties of 6-[1-(2,6-dimethylphenyl)imidazol-2-yl]-2-methyl-5H-[1,3]oxazolo[5,4-b]pyridin-5-ide;5-[1-(2,6-dimethyl-4-phenylphenyl)imidazol-2-yl]-2-methyl-6H-[1,3]oxazolo[4,5-b]pyridin-6-ide;5-[1-(2,6-diphenylphenyl)imidazol-2-yl]-2,3-dimethyl-6H-imidazo[4,5-b]pyrazin-6-ide;5-[1-[2,6-di(propan-2-yl)phenyl]-4,5-dimethylimidazol-2-yl]-2-methyl-6H-1,3-benzothiazol-6-ide;pentakis(iridium);2-methyl-5-(1-methylimidazol-2-yl)-6H-[1,3]oxazolo[4,5-b]pyridin-6-ide?

6-[1-(2,6-dimethylphenyl)imidazol-2-yl]-2-methyl-5H-[1,3]oxazolo[5,4-b]pyridin-5-ide;5-[1-(2,6-dimethyl-4-phenylphenyl)imidazol-2-yl]-2-methyl-6H-[1,3]oxazolo[4,5-b]pyridin-6-ide;5-[1-(2,6-diphenylphenyl)imidazol-2-yl]-2,3-dimethyl-6H-imidazo[4,5-b]pyrazin-6-ide;5-[1-[2,6-di(propan-2-yl)phenyl]-4,5-dimethylimidazol-2-yl]-2-methyl-6H-1,3-benzothiazol-6-ide;pentakis(iridium);2-methyl-5-(1-methylimidazol-2-yl)-6H-[1,3]oxazolo[4,5-b]pyridin-6-ide has a molecular weight of 2701.20 g/mol, XLogP of 23.77, 14 rotatable bonds, 0 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[1-(2,6-dimethylphenyl)imidazol-2-yl]-2-methyl-5H-[1,3]oxazolo[5,4-b]pyridin-5-ide;5-[1-(2,6-dimethyl-4-phenylphenyl)imidazol-2-yl]-2-methyl-6H-[1,3]oxazolo[4,5-b]pyridin-6-ide;5-[1-(2,6-diphenylphenyl)imidazol-2-yl]-2,3-dimethyl-6H-imidazo[4,5-b]pyrazin-6-ide;5-[1-[2,6-di(propan-2-yl)phenyl]-4,5-dimethylimidazol-2-yl]-2-methyl-6H-1,3-benzothiazol-6-ide;pentakis(iridium);2-methyl-5-(1-methylimidazol-2-yl)-6H-[1,3]oxazolo[4,5-b]pyridin-6-ide is sourced from PubChem (CID 158748496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).