2-[[2-(6-bromo-1H-indol-3-yl)-5-[1-[tert-butyl(dimethyl)silyl]indol-3-yl]imidazol-1-yl]methoxy]ethyl-trimethylsilane

C31H41BrN4OSi2 — CID 11802011

About 2-[[2-(6-bromo-1H-indol-3-yl)-5-[1-[tert-butyl(dimethyl)silyl]indol-3-yl]imidazol-1-yl]methoxy]ethyl-trimethylsilane

2-[[2-(6-bromo-1H-indol-3-yl)-5-[1-[tert-butyl(dimethyl)silyl]indol-3-yl]imidazol-1-yl]methoxy]ethyl-trimethylsilane (PubChem CID 11802011) has the molecular formula C31H41BrN4OSi2 and a molecular weight of 621.77 g/mol. Its IUPAC name is 2-[[2-(6-bromo-1H-indol-3-yl)-5-[1-[tert-butyl(dimethyl)silyl]indol-3-yl]imidazol-1-yl]methoxy]ethyl-trimethylsilane.

Molecular Properties

• Compound Name: 2-[[2-(6-bromo-1H-indol-3-yl)-5-[1-[tert-butyl(dimethyl)silyl]indol-3-yl]imidazol-1-yl]methoxy]ethyl-trimethylsilane
• PubChem CID: 11802011
• Molecular Formula: C31H41BrN4OSi2
• Molecular Weight: 621.77 g/mol
• Exact Mass: 620.20
• IUPAC Name: 2-[[2-(6-bromo-1H-indol-3-yl)-5-[1-[tert-butyl(dimethyl)silyl]indol-3-yl]imidazol-1-yl]methoxy]ethyl-trimethylsilane
• SMILES: CC(C)(C)[Si](C)(C)n1cc(-c2cnc(-c3c[nH]c4cc(Br)ccc34)n2COCC[Si](C)(C)C)c2ccccc21
• InChI: InChI=1S/C31H41BrN4OSi2/c1-31(2,3)39(7,8)36-20-26(24-11-9-10-12-28(24)36)29-19-34-30(35(29)21-37-15-16-38(4,5)6)25-18-33-27-17-22(32)13-14-23(25)27/h9-14,17-20,33H,15-16,21H2,1-8H3
• InChIKey: XKFBOWWIROCNDW-UHFFFAOYSA-N
• XLogP: 9.58
• TPSA: 47.77 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	621.77
LogP ≤ 5	9.58
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(6-bromo-1H-indol-3-yl)-5-[1-[tert-butyl(dimethyl)silyl]indol-3-yl]imidazol-1-yl]methoxy]ethyl-trimethylsilane?

The IUPAC name of 2-[[2-(6-bromo-1H-indol-3-yl)-5-[1-[tert-butyl(dimethyl)silyl]indol-3-yl]imidazol-1-yl]methoxy]ethyl-trimethylsilane (CID 11802011) is 2-[[2-(6-bromo-1H-indol-3-yl)-5-[1-[tert-butyl(dimethyl)silyl]indol-3-yl]imidazol-1-yl]methoxy]ethyl-trimethylsilane.

What is the SMILES notation for 2-[[2-(6-bromo-1H-indol-3-yl)-5-[1-[tert-butyl(dimethyl)silyl]indol-3-yl]imidazol-1-yl]methoxy]ethyl-trimethylsilane?

The canonical SMILES for 2-[[2-(6-bromo-1H-indol-3-yl)-5-[1-[tert-butyl(dimethyl)silyl]indol-3-yl]imidazol-1-yl]methoxy]ethyl-trimethylsilane is CC(C)(C)[Si](C)(C)n1cc(-c2cnc(-c3c[nH]c4cc(Br)ccc34)n2COCC[Si](C)(C)C)c2ccccc21.

What is the InChIKey of 2-[[2-(6-bromo-1H-indol-3-yl)-5-[1-[tert-butyl(dimethyl)silyl]indol-3-yl]imidazol-1-yl]methoxy]ethyl-trimethylsilane?

The InChIKey is XKFBOWWIROCNDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H41BrN4OSi2/c1-31(2,3)39(7,8)36-20-26(24-11-9-10-12-28(24)36)29-19-34-30(35(29)21-37-15-16-38(4,5)6)25-18-33-27-17-22(32)13-14-23(25)27/h9-14,17-20,33H,15-16,21H2,1-8H3.

What are the key properties of 2-[[2-(6-bromo-1H-indol-3-yl)-5-[1-[tert-butyl(dimethyl)silyl]indol-3-yl]imidazol-1-yl]methoxy]ethyl-trimethylsilane?

2-[[2-(6-bromo-1H-indol-3-yl)-5-[1-[tert-butyl(dimethyl)silyl]indol-3-yl]imidazol-1-yl]methoxy]ethyl-trimethylsilane has a molecular weight of 621.77 g/mol, XLogP of 9.58, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[2-(6-bromo-1H-indol-3-yl)-5-[1-[tert-butyl(dimethyl)silyl]indol-3-yl]imidazol-1-yl]methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 11802011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).