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

C₅₄H₄₄Ir₅N₁₇OS-5 — CID 158245176

About 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

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 (PubChem CID 158245176) has the molecular formula C₅₄H₄₄Ir₅N₁₇OS-5 and a molecular weight of 1940.22 g/mol. Its IUPAC name is 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.

Molecular Properties

• Compound Name: 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
• PubChem CID: 158245176
• Molecular Formula: C₅₄H₄₄Ir₅N₁₇OS-5
• Molecular Weight: 1940.22 g/mol
• Exact Mass: 1943.18
• IUPAC Name: 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
• SMILES: CC1(C)N=C(c2ccccn2)[N-]C1(C)C.Cn1ccnc1-c1nc2ccccc2[n-]1.[Ir].[Ir].[Ir].[Ir].[Ir].c1ccc(-c2nc3cccnc3[n-]2)nc1.c1ccc2[n-]c(-c3ncco3)nc2c1.c1ccc2[n-]c(-c3nccs3)nc2c1
• InChI: InChI=1S/C12H16N3.C11H9N4.C11H7N4.C10H6N3O.C10H6N3S.5Ir/c1-11(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;;;;;/h5-8H,1-4H3;2-7H,1H3;1-7H;2*1-6H;;;;;/q5*-1
• InChIKey: NLGUQXOHQYRGMT-UHFFFAOYSA-N
• XLogP: 10.16
• TPSA: 229.83 Ų
• H-Bond Acceptors: 14
• Rotatable Bonds: 5
• Heavy Atoms: 78
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1940.22
LogP ≤ 5	10.16
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	14

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;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?

The IUPAC name of 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) is 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.

What is the SMILES notation for 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?

The canonical SMILES for 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 is CC1(C)N=C(c2ccccn2)[N-]C1(C)C.Cn1ccnc1-c1nc2ccccc2[n-]1.[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)-1,3-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?

The InChIKey is NLGUQXOHQYRGMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N3.C11H9N4.C11H7N4.C10H6N3O.C10H6N3S.5Ir/c1-11(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;;;;;/h5-8H,1-4H3;2-7H,1H3;1-7H;2*1-6H;;;;;/q5*-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;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?

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 has a molecular weight of 1940.22 g/mol, XLogP of 10.16, 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;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 is sourced from PubChem (CID 158245176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 158245176 — identifiers, structure, computed properties (public domain)

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