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

C57H40Ir5N17OS-5 — CID 159808546

About 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

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 (PubChem CID 159808546) has the molecular formula C57H40Ir5N17OS-5 and a molecular weight of 1972.22 g/mol. Its IUPAC name is 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.

Molecular Properties

• Compound Name: 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
• PubChem CID: 159808546
• Molecular Formula: C57H40Ir5N17OS-5
• Molecular Weight: 1972.22 g/mol
• Exact Mass: 1975.15
• IUPAC Name: 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
• SMILES: Cn1c(-c2nc3ccccc3[n-]2)nc2ccccc21.Cn1ccnc1-c1nc2ccccc2[n-]1.O=c1cc[n-]c(-c2ccccn2)c1.[Ir].[Ir].[Ir].[Ir].[Ir].c1ccc2[n-]c(-c3cscn3)nc2c1.c1cnc(-c2nc3ccccc3[n-]2)nc1
• InChI: InChI=1S/C15H11N4.C11H9N4.C11H7N4.C10H6N3S.C10H8N2O.5Ir/c1-19-13-9-5-4-8-12(13)18-15(19)14-16-10-6-2-3-7-11(10)17-14;1-15-7-6-12-11(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)12-10(13-8)9-5-14-6-11-9;13-8-4-6-12-10(7-8)9-3-1-2-5-11-9;;;;;/h2-9H,1H3;2-7H,1H3;1-7H;1-6H;1-7H,(H,12,13);;;;;/q4*-1;;;;;;/p-1
• InChIKey: WPDCKXMQGFZUMJ-UHFFFAOYSA-M
• XLogP: 9.36
• TPSA: 226.33 Ų
• H-Bond Acceptors: 14
• Rotatable Bonds: 5
• Heavy Atoms: 81
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1972.22
LogP ≤ 5	9.36
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-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?

The IUPAC name of 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) is 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.

What is the SMILES notation for 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?

The canonical SMILES for 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 is Cn1c(-c2nc3ccccc3[n-]2)nc2ccccc21.Cn1ccnc1-c1nc2ccccc2[n-]1.O=c1cc[n-]c(-c2ccccn2)c1.[Ir].[Ir].[Ir].[Ir].[Ir].c1ccc2[n-]c(-c3cscn3)nc2c1.c1cnc(-c2nc3ccccc3[n-]2)nc1.

What is the InChIKey of 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?

The InChIKey is WPDCKXMQGFZUMJ-UHFFFAOYSA-M. The full InChI is InChI=1S/C15H11N4.C11H9N4.C11H7N4.C10H6N3S.C10H8N2O.5Ir/c1-19-13-9-5-4-8-12(13)18-15(19)14-16-10-6-2-3-7-11(10)17-14;1-15-7-6-12-11(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)12-10(13-8)9-5-14-6-11-9;13-8-4-6-12-10(7-8)9-3-1-2-5-11-9;;;;;/h2-9H,1H3;2-7H,1H3;1-7H;1-6H;1-7H,(H,12,13);;;;;/q4*-1;;;;;;/p-1.

What are the key properties of 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?

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 has a molecular weight of 1972.22 g/mol, XLogP of 9.36, 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-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 is sourced from PubChem (CID 159808546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).