2-[[4-bromo-5-(2-chloro-1,4-dihydropyrimidin-4-yl)-2-[4-(trifluoromethyl)phenyl]imidazol-1-yl]methoxy]ethyl-trimethylsilane

C20H23BrClF3N4OSi — CID 67053559

About 2-[[4-bromo-5-(2-chloro-1,4-dihydropyrimidin-4-yl)-2-[4-(trifluoromethyl)phenyl]imidazol-1-yl]methoxy]ethyl-trimethylsilane

2-[[4-bromo-5-(2-chloro-1,4-dihydropyrimidin-4-yl)-2-[4-(trifluoromethyl)phenyl]imidazol-1-yl]methoxy]ethyl-trimethylsilane (PubChem CID 67053559) has the molecular formula C20H23BrClF3N4OSi and a molecular weight of 535.87 g/mol. Its IUPAC name is 2-[[4-bromo-5-(2-chloro-1,4-dihydropyrimidin-4-yl)-2-[4-(trifluoromethyl)phenyl]imidazol-1-yl]methoxy]ethyl-trimethylsilane.

Molecular Properties

• Compound Name: 2-[[4-bromo-5-(2-chloro-1,4-dihydropyrimidin-4-yl)-2-[4-(trifluoromethyl)phenyl]imidazol-1-yl]methoxy]ethyl-trimethylsilane
• PubChem CID: 67053559
• Molecular Formula: C20H23BrClF3N4OSi
• Molecular Weight: 535.87 g/mol
• Exact Mass: 534.05
• IUPAC Name: 2-[[4-bromo-5-(2-chloro-1,4-dihydropyrimidin-4-yl)-2-[4-(trifluoromethyl)phenyl]imidazol-1-yl]methoxy]ethyl-trimethylsilane
• SMILES: C[Si](C)(C)CCOCn1c(-c2ccc(C(F)(F)F)cc2)nc(Br)c1C1C=CNC(Cl)=N1
• InChI: InChI=1S/C20H23BrClF3N4OSi/c1-31(2,3)11-10-30-12-29-16(15-8-9-26-19(22)27-15)17(21)28-18(29)13-4-6-14(7-5-13)20(23,24)25/h4-9,15H,10-12H2,1-3H3,(H,26,27)
• InChIKey: IGBXAWVFNNXCEG-UHFFFAOYSA-N
• XLogP: 6.40
• TPSA: 51.44 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	535.87
LogP ≤ 5	6.40
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[[4-bromo-5-(2-chloro-1,4-dihydropyrimidin-4-yl)-2-[4-(trifluoromethyl)phenyl]imidazol-1-yl]methoxy]ethyl-trimethylsilane?

The IUPAC name of 2-[[4-bromo-5-(2-chloro-1,4-dihydropyrimidin-4-yl)-2-[4-(trifluoromethyl)phenyl]imidazol-1-yl]methoxy]ethyl-trimethylsilane (CID 67053559) is 2-[[4-bromo-5-(2-chloro-1,4-dihydropyrimidin-4-yl)-2-[4-(trifluoromethyl)phenyl]imidazol-1-yl]methoxy]ethyl-trimethylsilane.

What is the SMILES notation for 2-[[4-bromo-5-(2-chloro-1,4-dihydropyrimidin-4-yl)-2-[4-(trifluoromethyl)phenyl]imidazol-1-yl]methoxy]ethyl-trimethylsilane?

The canonical SMILES for 2-[[4-bromo-5-(2-chloro-1,4-dihydropyrimidin-4-yl)-2-[4-(trifluoromethyl)phenyl]imidazol-1-yl]methoxy]ethyl-trimethylsilane is C[Si](C)(C)CCOCn1c(-c2ccc(C(F)(F)F)cc2)nc(Br)c1C1C=CNC(Cl)=N1.

What is the InChIKey of 2-[[4-bromo-5-(2-chloro-1,4-dihydropyrimidin-4-yl)-2-[4-(trifluoromethyl)phenyl]imidazol-1-yl]methoxy]ethyl-trimethylsilane?

The InChIKey is IGBXAWVFNNXCEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23BrClF3N4OSi/c1-31(2,3)11-10-30-12-29-16(15-8-9-26-19(22)27-15)17(21)28-18(29)13-4-6-14(7-5-13)20(23,24)25/h4-9,15H,10-12H2,1-3H3,(H,26,27).

What are the key properties of 2-[[4-bromo-5-(2-chloro-1,4-dihydropyrimidin-4-yl)-2-[4-(trifluoromethyl)phenyl]imidazol-1-yl]methoxy]ethyl-trimethylsilane?

2-[[4-bromo-5-(2-chloro-1,4-dihydropyrimidin-4-yl)-2-[4-(trifluoromethyl)phenyl]imidazol-1-yl]methoxy]ethyl-trimethylsilane has a molecular weight of 535.87 g/mol, XLogP of 6.40, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[4-bromo-5-(2-chloro-1,4-dihydropyrimidin-4-yl)-2-[4-(trifluoromethyl)phenyl]imidazol-1-yl]methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 67053559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).