2-[[2-(2,2-dibromoethenyl)-5-(4-fluorophenyl)-4-pyridin-4-ylimidazol-1-yl]methoxy]ethyl-trimethylsilane

C22H24Br2FN3OSi — CID 15434609

About 2-[[2-(2,2-dibromoethenyl)-5-(4-fluorophenyl)-4-pyridin-4-ylimidazol-1-yl]methoxy]ethyl-trimethylsilane

2-[[2-(2,2-dibromoethenyl)-5-(4-fluorophenyl)-4-pyridin-4-ylimidazol-1-yl]methoxy]ethyl-trimethylsilane (PubChem CID 15434609) has the molecular formula C22H24Br2FN3OSi and a molecular weight of 553.35 g/mol. Its IUPAC name is 2-[[2-(2,2-dibromoethenyl)-5-(4-fluorophenyl)-4-pyridin-4-ylimidazol-1-yl]methoxy]ethyl-trimethylsilane.

Molecular Properties

• Compound Name: 2-[[2-(2,2-dibromoethenyl)-5-(4-fluorophenyl)-4-pyridin-4-ylimidazol-1-yl]methoxy]ethyl-trimethylsilane
• PubChem CID: 15434609
• Molecular Formula: C22H24Br2FN3OSi
• Molecular Weight: 553.35 g/mol
• Exact Mass: 551.00
• IUPAC Name: 2-[[2-(2,2-dibromoethenyl)-5-(4-fluorophenyl)-4-pyridin-4-ylimidazol-1-yl]methoxy]ethyl-trimethylsilane
• SMILES: C[Si](C)(C)CCOCn1c(C=C(Br)Br)nc(-c2ccncc2)c1-c1ccc(F)cc1
• InChI: InChI=1S/C22H24Br2FN3OSi/c1-30(2,3)13-12-29-15-28-20(14-19(23)24)27-21(16-8-10-26-11-9-16)22(28)17-4-6-18(25)7-5-17/h4-11,14H,12-13,15H2,1-3H3
• InChIKey: IKXYSGRJWIIYOB-UHFFFAOYSA-N
• XLogP: 7.15
• TPSA: 39.94 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	553.35
LogP ≤ 5	7.15
H-Bond Donors ≤ 5	0
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-(2,2-dibromoethenyl)-5-(4-fluorophenyl)-4-pyridin-4-ylimidazol-1-yl]methoxy]ethyl-trimethylsilane?

The IUPAC name of 2-[[2-(2,2-dibromoethenyl)-5-(4-fluorophenyl)-4-pyridin-4-ylimidazol-1-yl]methoxy]ethyl-trimethylsilane (CID 15434609) is 2-[[2-(2,2-dibromoethenyl)-5-(4-fluorophenyl)-4-pyridin-4-ylimidazol-1-yl]methoxy]ethyl-trimethylsilane.

What is the SMILES notation for 2-[[2-(2,2-dibromoethenyl)-5-(4-fluorophenyl)-4-pyridin-4-ylimidazol-1-yl]methoxy]ethyl-trimethylsilane?

The canonical SMILES for 2-[[2-(2,2-dibromoethenyl)-5-(4-fluorophenyl)-4-pyridin-4-ylimidazol-1-yl]methoxy]ethyl-trimethylsilane is C[Si](C)(C)CCOCn1c(C=C(Br)Br)nc(-c2ccncc2)c1-c1ccc(F)cc1.

What is the InChIKey of 2-[[2-(2,2-dibromoethenyl)-5-(4-fluorophenyl)-4-pyridin-4-ylimidazol-1-yl]methoxy]ethyl-trimethylsilane?

The InChIKey is IKXYSGRJWIIYOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24Br2FN3OSi/c1-30(2,3)13-12-29-15-28-20(14-19(23)24)27-21(16-8-10-26-11-9-16)22(28)17-4-6-18(25)7-5-17/h4-11,14H,12-13,15H2,1-3H3.

What are the key properties of 2-[[2-(2,2-dibromoethenyl)-5-(4-fluorophenyl)-4-pyridin-4-ylimidazol-1-yl]methoxy]ethyl-trimethylsilane?

2-[[2-(2,2-dibromoethenyl)-5-(4-fluorophenyl)-4-pyridin-4-ylimidazol-1-yl]methoxy]ethyl-trimethylsilane has a molecular weight of 553.35 g/mol, XLogP of 7.15, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[2-(2,2-dibromoethenyl)-5-(4-fluorophenyl)-4-pyridin-4-ylimidazol-1-yl]methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 15434609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).