2-[[5-(3-bromoquinolin-6-yl)-4-(3-chlorophenyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane

C₂₄H₂₅BrClN₃OSi — CID 151759975

About 2-[[5-(3-bromoquinolin-6-yl)-4-(3-chlorophenyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane

2-[[5-(3-bromoquinolin-6-yl)-4-(3-chlorophenyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane (PubChem CID 151759975) has the molecular formula C₂₄H₂₅BrClN₃OSi and a molecular weight of 514.93 g/mol. Its IUPAC name is 2-[[5-(3-bromoquinolin-6-yl)-4-(3-chlorophenyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane.

Molecular Properties

• Compound Name: 2-[[5-(3-bromoquinolin-6-yl)-4-(3-chlorophenyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane
• PubChem CID: 151759975
• Molecular Formula: C₂₄H₂₅BrClN₃OSi
• Molecular Weight: 514.93 g/mol
• Exact Mass: 513.06
• IUPAC Name: 2-[[5-(3-bromoquinolin-6-yl)-4-(3-chlorophenyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane
• SMILES: C[Si](C)(C)CCOCn1cnc(-c2cccc(Cl)c2)c1-c1ccc2ncc(Br)cc2c1
• InChI: InChI=1S/C24H25BrClN3OSi/c1-31(2,3)10-9-30-16-29-15-28-23(17-5-4-6-21(26)13-17)24(29)18-7-8-22-19(11-18)12-20(25)14-27-22/h4-8,11-15H,9-10,16H2,1-3H3
• InChIKey: RQIUAPRXKBOXHL-UHFFFAOYSA-N
• XLogP: 7.49
• TPSA: 39.94 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	514.93
LogP ≤ 5	7.49
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-[[5-(3-bromoquinolin-6-yl)-4-(3-chlorophenyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane?

The IUPAC name of 2-[[5-(3-bromoquinolin-6-yl)-4-(3-chlorophenyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane (CID 151759975) is 2-[[5-(3-bromoquinolin-6-yl)-4-(3-chlorophenyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane.

What is the SMILES notation for 2-[[5-(3-bromoquinolin-6-yl)-4-(3-chlorophenyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane?

The canonical SMILES for 2-[[5-(3-bromoquinolin-6-yl)-4-(3-chlorophenyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane is C[Si](C)(C)CCOCn1cnc(-c2cccc(Cl)c2)c1-c1ccc2ncc(Br)cc2c1.

What is the InChIKey of 2-[[5-(3-bromoquinolin-6-yl)-4-(3-chlorophenyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane?

The InChIKey is RQIUAPRXKBOXHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25BrClN3OSi/c1-31(2,3)10-9-30-16-29-15-28-23(17-5-4-6-21(26)13-17)24(29)18-7-8-22-19(11-18)12-20(25)14-27-22/h4-8,11-15H,9-10,16H2,1-3H3.

What are the key properties of 2-[[5-(3-bromoquinolin-6-yl)-4-(3-chlorophenyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane?

2-[[5-(3-bromoquinolin-6-yl)-4-(3-chlorophenyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane has a molecular weight of 514.93 g/mol, XLogP of 7.49, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[5-(3-bromoquinolin-6-yl)-4-(3-chlorophenyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 151759975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 151759975 — identifiers, structure, computed properties (public domain)

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