2-(benzimidazol-1-id-2-yl)-N,N-dimethylpyridin-4-amine;2-[4,5-bis(trifluoromethyl)imidazol-3-id-2-yl]pyridine;pentakis(iridium);2-pyrimidin-2-ylbenzimidazol-1-ide;4,5,6,7-tetrafluoro-2-pyridin-2-ylbenzimidazol-1-ide;2-(1,3,5-triazin-2-yl)benzimidazol-1-ide

C57H34F10Ir5N19-5 — CID 159890232

About 2-(benzimidazol-1-id-2-yl)-N,N-dimethylpyridin-4-amine;2-[4,5-bis(trifluoromethyl)imidazol-3-id-2-yl]pyridine;pentakis(iridium);2-pyrimidin-2-ylbenzimidazol-1-ide;4,5,6,7-tetrafluoro-2-pyridin-2-ylbenzimidazol-1-ide;2-(1,3,5-triazin-2-yl)benzimidazol-1-ide

2-(benzimidazol-1-id-2-yl)-N,N-dimethylpyridin-4-amine;2-[4,5-bis(trifluoromethyl)imidazol-3-id-2-yl]pyridine;pentakis(iridium);2-pyrimidin-2-ylbenzimidazol-1-ide;4,5,6,7-tetrafluoro-2-pyridin-2-ylbenzimidazol-1-ide;2-(1,3,5-triazin-2-yl)benzimidazol-1-ide (PubChem CID 159890232) has the molecular formula C57H34F10Ir5N19-5 and a molecular weight of 2136.10 g/mol. Its IUPAC name is 2-(benzimidazol-1-id-2-yl)-N,N-dimethylpyridin-4-amine;2-[4,5-bis(trifluoromethyl)imidazol-3-id-2-yl]pyridine;pentakis(iridium);2-pyrimidin-2-ylbenzimidazol-1-ide;4,5,6,7-tetrafluoro-2-pyridin-2-ylbenzimidazol-1-ide;2-(1,3,5-triazin-2-yl)benzimidazol-1-ide.

Molecular Properties

• Compound Name: 2-(benzimidazol-1-id-2-yl)-N,N-dimethylpyridin-4-amine;2-[4,5-bis(trifluoromethyl)imidazol-3-id-2-yl]pyridine;pentakis(iridium);2-pyrimidin-2-ylbenzimidazol-1-ide;4,5,6,7-tetrafluoro-2-pyridin-2-ylbenzimidazol-1-ide;2-(1,3,5-triazin-2-yl)benzimidazol-1-ide
• PubChem CID: 159890232
• Molecular Formula: C57H34F10Ir5N19-5
• Molecular Weight: 2136.10 g/mol
• Exact Mass: 2139.13
• IUPAC Name: 2-(benzimidazol-1-id-2-yl)-N,N-dimethylpyridin-4-amine;2-[4,5-bis(trifluoromethyl)imidazol-3-id-2-yl]pyridine;pentakis(iridium);2-pyrimidin-2-ylbenzimidazol-1-ide;4,5,6,7-tetrafluoro-2-pyridin-2-ylbenzimidazol-1-ide;2-(1,3,5-triazin-2-yl)benzimidazol-1-ide
• SMILES: CN(C)c1ccnc(-c2nc3ccccc3[n-]2)c1.FC(F)(F)c1nc(-c2ccccn2)[n-]c1C(F)(F)F.Fc1c(F)c(F)c2[n-]c(-c3ccccn3)nc2c1F.[Ir].[Ir].[Ir].[Ir].[Ir].c1ccc2[n-]c(-c3ncncn3)nc2c1.c1cnc(-c2nc3ccccc3[n-]2)nc1
• InChI: InChI=1S/C14H13N4.C12H4F4N3.C11H7N4.C10H4F6N3.C10H6N5.5Ir/c1-18(2)10-7-8-15-13(9-10)14-16-11-5-3-4-6-12(11)17-14;13-6-7(14)9(16)11-10(8(6)15)18-12(19-11)5-3-1-2-4-17-5;1-2-5-9-8(4-1)14-11(15-9)10-12-6-3-7-13-10;11-9(12,13)6-7(10(14,15)16)19-8(18-6)5-3-1-2-4-17-5;1-2-4-8-7(3-1)14-10(15-8)9-12-5-11-6-13-9;;;;;/h3-9H,1-2H3;1-4H;1-7H;1-4H;1-6H;;;;;/q5*-1
• InChIKey: DGCJVZKXOWKFNO-UHFFFAOYSA-N
• XLogP: 10.95
• TPSA: 241.31 Ų
• H-Bond Acceptors: 14
• Rotatable Bonds: 6
• Heavy Atoms: 91
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2136.10
LogP ≤ 5	10.95
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(benzimidazol-1-id-2-yl)-N,N-dimethylpyridin-4-amine;2-[4,5-bis(trifluoromethyl)imidazol-3-id-2-yl]pyridine;pentakis(iridium);2-pyrimidin-2-ylbenzimidazol-1-ide;4,5,6,7-tetrafluoro-2-pyridin-2-ylbenzimidazol-1-ide;2-(1,3,5-triazin-2-yl)benzimidazol-1-ide?

The IUPAC name of 2-(benzimidazol-1-id-2-yl)-N,N-dimethylpyridin-4-amine;2-[4,5-bis(trifluoromethyl)imidazol-3-id-2-yl]pyridine;pentakis(iridium);2-pyrimidin-2-ylbenzimidazol-1-ide;4,5,6,7-tetrafluoro-2-pyridin-2-ylbenzimidazol-1-ide;2-(1,3,5-triazin-2-yl)benzimidazol-1-ide (CID 159890232) is 2-(benzimidazol-1-id-2-yl)-N,N-dimethylpyridin-4-amine;2-[4,5-bis(trifluoromethyl)imidazol-3-id-2-yl]pyridine;pentakis(iridium);2-pyrimidin-2-ylbenzimidazol-1-ide;4,5,6,7-tetrafluoro-2-pyridin-2-ylbenzimidazol-1-ide;2-(1,3,5-triazin-2-yl)benzimidazol-1-ide.

What is the SMILES notation for 2-(benzimidazol-1-id-2-yl)-N,N-dimethylpyridin-4-amine;2-[4,5-bis(trifluoromethyl)imidazol-3-id-2-yl]pyridine;pentakis(iridium);2-pyrimidin-2-ylbenzimidazol-1-ide;4,5,6,7-tetrafluoro-2-pyridin-2-ylbenzimidazol-1-ide;2-(1,3,5-triazin-2-yl)benzimidazol-1-ide?

The canonical SMILES for 2-(benzimidazol-1-id-2-yl)-N,N-dimethylpyridin-4-amine;2-[4,5-bis(trifluoromethyl)imidazol-3-id-2-yl]pyridine;pentakis(iridium);2-pyrimidin-2-ylbenzimidazol-1-ide;4,5,6,7-tetrafluoro-2-pyridin-2-ylbenzimidazol-1-ide;2-(1,3,5-triazin-2-yl)benzimidazol-1-ide is CN(C)c1ccnc(-c2nc3ccccc3[n-]2)c1.FC(F)(F)c1nc(-c2ccccn2)[n-]c1C(F)(F)F.Fc1c(F)c(F)c2[n-]c(-c3ccccn3)nc2c1F.[Ir].[Ir].[Ir].[Ir].[Ir].c1ccc2[n-]c(-c3ncncn3)nc2c1.c1cnc(-c2nc3ccccc3[n-]2)nc1.

What is the InChIKey of 2-(benzimidazol-1-id-2-yl)-N,N-dimethylpyridin-4-amine;2-[4,5-bis(trifluoromethyl)imidazol-3-id-2-yl]pyridine;pentakis(iridium);2-pyrimidin-2-ylbenzimidazol-1-ide;4,5,6,7-tetrafluoro-2-pyridin-2-ylbenzimidazol-1-ide;2-(1,3,5-triazin-2-yl)benzimidazol-1-ide?

The InChIKey is DGCJVZKXOWKFNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N4.C12H4F4N3.C11H7N4.C10H4F6N3.C10H6N5.5Ir/c1-18(2)10-7-8-15-13(9-10)14-16-11-5-3-4-6-12(11)17-14;13-6-7(14)9(16)11-10(8(6)15)18-12(19-11)5-3-1-2-4-17-5;1-2-5-9-8(4-1)14-11(15-9)10-12-6-3-7-13-10;11-9(12,13)6-7(10(14,15)16)19-8(18-6)5-3-1-2-4-17-5;1-2-4-8-7(3-1)14-10(15-8)9-12-5-11-6-13-9;;;;;/h3-9H,1-2H3;1-4H;1-7H;1-4H;1-6H;;;;;/q5*-1;;;;;.

What are the key properties of 2-(benzimidazol-1-id-2-yl)-N,N-dimethylpyridin-4-amine;2-[4,5-bis(trifluoromethyl)imidazol-3-id-2-yl]pyridine;pentakis(iridium);2-pyrimidin-2-ylbenzimidazol-1-ide;4,5,6,7-tetrafluoro-2-pyridin-2-ylbenzimidazol-1-ide;2-(1,3,5-triazin-2-yl)benzimidazol-1-ide?

2-(benzimidazol-1-id-2-yl)-N,N-dimethylpyridin-4-amine;2-[4,5-bis(trifluoromethyl)imidazol-3-id-2-yl]pyridine;pentakis(iridium);2-pyrimidin-2-ylbenzimidazol-1-ide;4,5,6,7-tetrafluoro-2-pyridin-2-ylbenzimidazol-1-ide;2-(1,3,5-triazin-2-yl)benzimidazol-1-ide has a molecular weight of 2136.10 g/mol, XLogP of 10.95, 6 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)-N,N-dimethylpyridin-4-amine;2-[4,5-bis(trifluoromethyl)imidazol-3-id-2-yl]pyridine;pentakis(iridium);2-pyrimidin-2-ylbenzimidazol-1-ide;4,5,6,7-tetrafluoro-2-pyridin-2-ylbenzimidazol-1-ide;2-(1,3,5-triazin-2-yl)benzimidazol-1-ide is sourced from PubChem (CID 159890232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).