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-ylbenzimidazol-1-ide;2-(4,4,5,5-tetramethylimidazol-3-id-2-yl)pyridine

C57H45Ir5N14O3S-5 — CID 162083308

About 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-ylbenzimidazol-1-ide;2-(4,4,5,5-tetramethylimidazol-3-id-2-yl)pyridine

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-ylbenzimidazol-1-ide;2-(4,4,5,5-tetramethylimidazol-3-id-2-yl)pyridine (PubChem CID 162083308) has the molecular formula C57H45Ir5N14O3S-5 and a molecular weight of 1967.23 g/mol. Its IUPAC name is 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-ylbenzimidazol-1-ide;2-(4,4,5,5-tetramethylimidazol-3-id-2-yl)pyridine.

Molecular Properties

• Compound Name: 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-ylbenzimidazol-1-ide;2-(4,4,5,5-tetramethylimidazol-3-id-2-yl)pyridine
• PubChem CID: 162083308
• Molecular Formula: C57H45Ir5N14O3S-5
• Molecular Weight: 1967.23 g/mol
• Exact Mass: 1970.17
• IUPAC Name: 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-ylbenzimidazol-1-ide;2-(4,4,5,5-tetramethylimidazol-3-id-2-yl)pyridine
• SMILES: CC1(C)N=C(c2ccccn2)[N-]C1(C)C.O=C([N-]C(=O)c1ccccn1)c1ccccc1.[Ir].[Ir].[Ir].[Ir].[Ir].c1ccc(-c2nc3ccccc3[n-]2)nc1.c1ccc2[n-]c(-c3ncco3)nc2c1.c1ccc2[n-]c(-c3nccs3)nc2c1
• InChI: InChI=1S/C13H10N2O2.C12H8N3.C12H16N3.C10H6N3O.C10H6N3S.5Ir/c16-12(10-6-2-1-3-7-10)15-13(17)11-8-4-5-9-14-11;1-2-6-10-9(5-1)14-12(15-10)11-7-3-4-8-13-11;1-11(2)12(3,4)15-10(14-11)9-7-5-6-8-13-9;2*1-2-4-8-7(3-1)12-9(13-8)10-11-5-6-14-10;;;;;/h1-9H,(H,15,16,17);1-8H;5-8H,1-4H3;2*1-6H;;;;;/q;4*-1;;;;;/p-1
• InChIKey: JVKLEYBVNLKTNB-UHFFFAOYSA-M
• XLogP: 11.61
• TPSA: 233.26 Ų
• H-Bond Acceptors: 13
• Rotatable Bonds: 6
• Heavy Atoms: 80
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1967.23
LogP ≤ 5	11.61
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 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-ylbenzimidazol-1-ide;2-(4,4,5,5-tetramethylimidazol-3-id-2-yl)pyridine?

The IUPAC name of 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-ylbenzimidazol-1-ide;2-(4,4,5,5-tetramethylimidazol-3-id-2-yl)pyridine (CID 162083308) is 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-ylbenzimidazol-1-ide;2-(4,4,5,5-tetramethylimidazol-3-id-2-yl)pyridine.

What is the SMILES notation for 2-(benzimidazol-1-id-2-yl)-1,3-oxazole;2-(benzimidazol-1-id-2-yl)-1,3-thiazole;benzoyl(pyridine-2-carbonyl)azanide;pentakis(iridium);2-pyridin-2-ylbenzimidazol-1-ide;2-(4,4,5,5-tetramethylimidazol-3-id-2-yl)pyridine?

The canonical SMILES for 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-ylbenzimidazol-1-ide;2-(4,4,5,5-tetramethylimidazol-3-id-2-yl)pyridine is CC1(C)N=C(c2ccccn2)[N-]C1(C)C.O=C([N-]C(=O)c1ccccn1)c1ccccc1.[Ir].[Ir].[Ir].[Ir].[Ir].c1ccc(-c2nc3ccccc3[n-]2)nc1.c1ccc2[n-]c(-c3ncco3)nc2c1.c1ccc2[n-]c(-c3nccs3)nc2c1.

What is the InChIKey of 2-(benzimidazol-1-id-2-yl)-1,3-oxazole;2-(benzimidazol-1-id-2-yl)-1,3-thiazole;benzoyl(pyridine-2-carbonyl)azanide;pentakis(iridium);2-pyridin-2-ylbenzimidazol-1-ide;2-(4,4,5,5-tetramethylimidazol-3-id-2-yl)pyridine?

The InChIKey is JVKLEYBVNLKTNB-UHFFFAOYSA-M. The full InChI is InChI=1S/C13H10N2O2.C12H8N3.C12H16N3.C10H6N3O.C10H6N3S.5Ir/c16-12(10-6-2-1-3-7-10)15-13(17)11-8-4-5-9-14-11;1-2-6-10-9(5-1)14-12(15-10)11-7-3-4-8-13-11;1-11(2)12(3,4)15-10(14-11)9-7-5-6-8-13-9;2*1-2-4-8-7(3-1)12-9(13-8)10-11-5-6-14-10;;;;;/h1-9H,(H,15,16,17);1-8H;5-8H,1-4H3;2*1-6H;;;;;/q;4*-1;;;;;/p-1.

What are the key properties of 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-ylbenzimidazol-1-ide;2-(4,4,5,5-tetramethylimidazol-3-id-2-yl)pyridine?

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-ylbenzimidazol-1-ide;2-(4,4,5,5-tetramethylimidazol-3-id-2-yl)pyridine has a molecular weight of 1967.23 g/mol, XLogP of 11.61, 6 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 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-ylbenzimidazol-1-ide;2-(4,4,5,5-tetramethylimidazol-3-id-2-yl)pyridine is sourced from PubChem (CID 162083308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).