2-[(5-bromobenzimidazol-1-yl)methoxy]ethyl-trimethylsilane;1-(2-pyridin-2-ylethynyl)-3-azabicyclo[3.1.0]hexane;trimethyl-[2-[[5-[1-(2-pyridin-2-ylethynyl)-3-azabicyclo[3.1.0]hexan-3-yl]benzimidazol-1-yl]methoxy]ethyl]silane

C50H61BrN8O2Si2 — CID 161456420

About 2-[(5-bromobenzimidazol-1-yl)methoxy]ethyl-trimethylsilane;1-(2-pyridin-2-ylethynyl)-3-azabicyclo[3.1.0]hexane;trimethyl-[2-[[5-[1-(2-pyridin-2-ylethynyl)-3-azabicyclo[3.1.0]hexan-3-yl]benzimidazol-1-yl]methoxy]ethyl]silane

2-[(5-bromobenzimidazol-1-yl)methoxy]ethyl-trimethylsilane;1-(2-pyridin-2-ylethynyl)-3-azabicyclo[3.1.0]hexane;trimethyl-[2-[[5-[1-(2-pyridin-2-ylethynyl)-3-azabicyclo[3.1.0]hexan-3-yl]benzimidazol-1-yl]methoxy]ethyl]silane (PubChem CID 161456420) has the molecular formula C50H61BrN8O2Si2 and a molecular weight of 942.17 g/mol. Its IUPAC name is 2-[(5-bromobenzimidazol-1-yl)methoxy]ethyl-trimethylsilane;1-(2-pyridin-2-ylethynyl)-3-azabicyclo[3.1.0]hexane;trimethyl-[2-[[5-[1-(2-pyridin-2-ylethynyl)-3-azabicyclo[3.1.0]hexan-3-yl]benzimidazol-1-yl]methoxy]ethyl]silane.

Molecular Properties

• Compound Name: 2-[(5-bromobenzimidazol-1-yl)methoxy]ethyl-trimethylsilane;1-(2-pyridin-2-ylethynyl)-3-azabicyclo[3.1.0]hexane;trimethyl-[2-[[5-[1-(2-pyridin-2-ylethynyl)-3-azabicyclo[3.1.0]hexan-3-yl]benzimidazol-1-yl]methoxy]ethyl]silane
• PubChem CID: 161456420
• Molecular Formula: C50H61BrN8O2Si2
• Molecular Weight: 942.17 g/mol
• Exact Mass: 940.36
• IUPAC Name: 2-[(5-bromobenzimidazol-1-yl)methoxy]ethyl-trimethylsilane;1-(2-pyridin-2-ylethynyl)-3-azabicyclo[3.1.0]hexane;trimethyl-[2-[[5-[1-(2-pyridin-2-ylethynyl)-3-azabicyclo[3.1.0]hexan-3-yl]benzimidazol-1-yl]methoxy]ethyl]silane
• SMILES: C(#CC12CNCC1C2)c1ccccn1.C[Si](C)(C)CCOCn1cnc2cc(Br)ccc21.C[Si](C)(C)CCOCn1cnc2cc(N3CC4CC4(C#Cc4ccccn4)C3)ccc21
• InChI: InChI=1S/C25H30N4OSi.C13H19BrN2OSi.C12H12N2/c1-31(2,3)13-12-30-19-29-18-27-23-14-22(7-8-24(23)29)28-16-20-15-25(20,17-28)10-9-21-6-4-5-11-26-21;1-18(2,3)7-6-17-10-16-9-15-12-8-11(14)4-5-13(12)16;1-2-6-14-11(3-1)4-5-12-7-10(12)8-13-9-12/h4-8,11,14,18,20H,12-13,15-17,19H2,1-3H3;4-5,8-9H,6-7,10H2,1-3H3;1-3,6,10,13H,7-9H2
• InChIKey: WBFFBSCQEVYOOH-UHFFFAOYSA-N
• XLogP: 9.78
• TPSA: 95.15 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 11
• Heavy Atoms: 63
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	942.17
LogP ≤ 5	9.78
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromobenzimidazol-1-yl)methoxy]ethyl-trimethylsilane;1-(2-pyridin-2-ylethynyl)-3-azabicyclo[3.1.0]hexane;trimethyl-[2-[[5-[1-(2-pyridin-2-ylethynyl)-3-azabicyclo[3.1.0]hexan-3-yl]benzimidazol-1-yl]methoxy]ethyl]silane?

The IUPAC name of 2-[(5-bromobenzimidazol-1-yl)methoxy]ethyl-trimethylsilane;1-(2-pyridin-2-ylethynyl)-3-azabicyclo[3.1.0]hexane;trimethyl-[2-[[5-[1-(2-pyridin-2-ylethynyl)-3-azabicyclo[3.1.0]hexan-3-yl]benzimidazol-1-yl]methoxy]ethyl]silane (CID 161456420) is 2-[(5-bromobenzimidazol-1-yl)methoxy]ethyl-trimethylsilane;1-(2-pyridin-2-ylethynyl)-3-azabicyclo[3.1.0]hexane;trimethyl-[2-[[5-[1-(2-pyridin-2-ylethynyl)-3-azabicyclo[3.1.0]hexan-3-yl]benzimidazol-1-yl]methoxy]ethyl]silane.

What is the SMILES notation for 2-[(5-bromobenzimidazol-1-yl)methoxy]ethyl-trimethylsilane;1-(2-pyridin-2-ylethynyl)-3-azabicyclo[3.1.0]hexane;trimethyl-[2-[[5-[1-(2-pyridin-2-ylethynyl)-3-azabicyclo[3.1.0]hexan-3-yl]benzimidazol-1-yl]methoxy]ethyl]silane?

The canonical SMILES for 2-[(5-bromobenzimidazol-1-yl)methoxy]ethyl-trimethylsilane;1-(2-pyridin-2-ylethynyl)-3-azabicyclo[3.1.0]hexane;trimethyl-[2-[[5-[1-(2-pyridin-2-ylethynyl)-3-azabicyclo[3.1.0]hexan-3-yl]benzimidazol-1-yl]methoxy]ethyl]silane is C(#CC12CNCC1C2)c1ccccn1.C[Si](C)(C)CCOCn1cnc2cc(Br)ccc21.C[Si](C)(C)CCOCn1cnc2cc(N3CC4CC4(C#Cc4ccccn4)C3)ccc21.

What is the InChIKey of 2-[(5-bromobenzimidazol-1-yl)methoxy]ethyl-trimethylsilane;1-(2-pyridin-2-ylethynyl)-3-azabicyclo[3.1.0]hexane;trimethyl-[2-[[5-[1-(2-pyridin-2-ylethynyl)-3-azabicyclo[3.1.0]hexan-3-yl]benzimidazol-1-yl]methoxy]ethyl]silane?

The InChIKey is WBFFBSCQEVYOOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4OSi.C13H19BrN2OSi.C12H12N2/c1-31(2,3)13-12-30-19-29-18-27-23-14-22(7-8-24(23)29)28-16-20-15-25(20,17-28)10-9-21-6-4-5-11-26-21;1-18(2,3)7-6-17-10-16-9-15-12-8-11(14)4-5-13(12)16;1-2-6-14-11(3-1)4-5-12-7-10(12)8-13-9-12/h4-8,11,14,18,20H,12-13,15-17,19H2,1-3H3;4-5,8-9H,6-7,10H2,1-3H3;1-3,6,10,13H,7-9H2.

What are the key properties of 2-[(5-bromobenzimidazol-1-yl)methoxy]ethyl-trimethylsilane;1-(2-pyridin-2-ylethynyl)-3-azabicyclo[3.1.0]hexane;trimethyl-[2-[[5-[1-(2-pyridin-2-ylethynyl)-3-azabicyclo[3.1.0]hexan-3-yl]benzimidazol-1-yl]methoxy]ethyl]silane?

2-[(5-bromobenzimidazol-1-yl)methoxy]ethyl-trimethylsilane;1-(2-pyridin-2-ylethynyl)-3-azabicyclo[3.1.0]hexane;trimethyl-[2-[[5-[1-(2-pyridin-2-ylethynyl)-3-azabicyclo[3.1.0]hexan-3-yl]benzimidazol-1-yl]methoxy]ethyl]silane has a molecular weight of 942.17 g/mol, XLogP of 9.78, 11 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(5-bromobenzimidazol-1-yl)methoxy]ethyl-trimethylsilane;1-(2-pyridin-2-ylethynyl)-3-azabicyclo[3.1.0]hexane;trimethyl-[2-[[5-[1-(2-pyridin-2-ylethynyl)-3-azabicyclo[3.1.0]hexan-3-yl]benzimidazol-1-yl]methoxy]ethyl]silane is sourced from PubChem (CID 161456420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).