6-[5-(6-bromo-2-pyridinyl)-2-[(3-fluorophenyl)methyl]-1H-imidazol-4-yl]quinoline;6-[5-(6-bromo-2-pyridinyl)-2-[[3-(trifluoromethyl)phenyl]methyl]-1H-imidazol-4-yl]quinoline

C49H32Br2F4N8 — CID 158008495

About 6-[5-(6-bromo-2-pyridinyl)-2-[(3-fluorophenyl)methyl]-1H-imidazol-4-yl]quinoline;6-[5-(6-bromo-2-pyridinyl)-2-[[3-(trifluoromethyl)phenyl]methyl]-1H-imidazol-4-yl]quinoline

6-[5-(6-bromo-2-pyridinyl)-2-[(3-fluorophenyl)methyl]-1H-imidazol-4-yl]quinoline;6-[5-(6-bromo-2-pyridinyl)-2-[[3-(trifluoromethyl)phenyl]methyl]-1H-imidazol-4-yl]quinoline (PubChem CID 158008495) has the molecular formula C49H32Br2F4N8 and a molecular weight of 968.65 g/mol. Its IUPAC name is 6-[5-(6-bromo-2-pyridinyl)-2-[(3-fluorophenyl)methyl]-1H-imidazol-4-yl]quinoline;6-[5-(6-bromo-2-pyridinyl)-2-[[3-(trifluoromethyl)phenyl]methyl]-1H-imidazol-4-yl]quinoline.

Molecular Properties

• Compound Name: 6-[5-(6-bromo-2-pyridinyl)-2-[(3-fluorophenyl)methyl]-1H-imidazol-4-yl]quinoline;6-[5-(6-bromo-2-pyridinyl)-2-[[3-(trifluoromethyl)phenyl]methyl]-1H-imidazol-4-yl]quinoline
• PubChem CID: 158008495
• Molecular Formula: C49H32Br2F4N8
• Molecular Weight: 968.65 g/mol
• Exact Mass: 966.11
• IUPAC Name: 6-[5-(6-bromo-2-pyridinyl)-2-[(3-fluorophenyl)methyl]-1H-imidazol-4-yl]quinoline;6-[5-(6-bromo-2-pyridinyl)-2-[[3-(trifluoromethyl)phenyl]methyl]-1H-imidazol-4-yl]quinoline
• SMILES: FC(F)(F)c1cccc(Cc2nc(-c3ccc4ncccc4c3)c(-c3cccc(Br)n3)[nH]2)c1.Fc1cccc(Cc2nc(-c3ccc4ncccc4c3)c(-c3cccc(Br)n3)[nH]2)c1
• InChI: InChI=1S/C25H16BrF3N4.C24H16BrFN4/c26-21-8-2-7-20(31-21)24-23(17-9-10-19-16(14-17)5-3-11-30-19)32-22(33-24)13-15-4-1-6-18(12-15)25(27,28)29;25-21-8-2-7-20(28-21)24-23(17-9-10-19-16(14-17)5-3-11-27-19)29-22(30-24)13-15-4-1-6-18(26)12-15/h1-12,14H,13H2,(H,32,33);1-12,14H,13H2,(H,29,30)
• InChIKey: FEPBJENEGPLDQK-UHFFFAOYSA-N
• XLogP: 13.24
• TPSA: 108.92 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 63
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	968.65
LogP ≤ 5	13.24
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-[5-(6-bromo-2-pyridinyl)-2-[(3-fluorophenyl)methyl]-1H-imidazol-4-yl]quinoline;6-[5-(6-bromo-2-pyridinyl)-2-[[3-(trifluoromethyl)phenyl]methyl]-1H-imidazol-4-yl]quinoline?

The IUPAC name of 6-[5-(6-bromo-2-pyridinyl)-2-[(3-fluorophenyl)methyl]-1H-imidazol-4-yl]quinoline;6-[5-(6-bromo-2-pyridinyl)-2-[[3-(trifluoromethyl)phenyl]methyl]-1H-imidazol-4-yl]quinoline (CID 158008495) is 6-[5-(6-bromo-2-pyridinyl)-2-[(3-fluorophenyl)methyl]-1H-imidazol-4-yl]quinoline;6-[5-(6-bromo-2-pyridinyl)-2-[[3-(trifluoromethyl)phenyl]methyl]-1H-imidazol-4-yl]quinoline.

What is the SMILES notation for 6-[5-(6-bromo-2-pyridinyl)-2-[(3-fluorophenyl)methyl]-1H-imidazol-4-yl]quinoline;6-[5-(6-bromo-2-pyridinyl)-2-[[3-(trifluoromethyl)phenyl]methyl]-1H-imidazol-4-yl]quinoline?

The canonical SMILES for 6-[5-(6-bromo-2-pyridinyl)-2-[(3-fluorophenyl)methyl]-1H-imidazol-4-yl]quinoline;6-[5-(6-bromo-2-pyridinyl)-2-[[3-(trifluoromethyl)phenyl]methyl]-1H-imidazol-4-yl]quinoline is FC(F)(F)c1cccc(Cc2nc(-c3ccc4ncccc4c3)c(-c3cccc(Br)n3)[nH]2)c1.Fc1cccc(Cc2nc(-c3ccc4ncccc4c3)c(-c3cccc(Br)n3)[nH]2)c1.

What is the InChIKey of 6-[5-(6-bromo-2-pyridinyl)-2-[(3-fluorophenyl)methyl]-1H-imidazol-4-yl]quinoline;6-[5-(6-bromo-2-pyridinyl)-2-[[3-(trifluoromethyl)phenyl]methyl]-1H-imidazol-4-yl]quinoline?

The InChIKey is FEPBJENEGPLDQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H16BrF3N4.C24H16BrFN4/c26-21-8-2-7-20(31-21)24-23(17-9-10-19-16(14-17)5-3-11-30-19)32-22(33-24)13-15-4-1-6-18(12-15)25(27,28)29;25-21-8-2-7-20(28-21)24-23(17-9-10-19-16(14-17)5-3-11-27-19)29-22(30-24)13-15-4-1-6-18(26)12-15/h1-12,14H,13H2,(H,32,33);1-12,14H,13H2,(H,29,30).

What are the key properties of 6-[5-(6-bromo-2-pyridinyl)-2-[(3-fluorophenyl)methyl]-1H-imidazol-4-yl]quinoline;6-[5-(6-bromo-2-pyridinyl)-2-[[3-(trifluoromethyl)phenyl]methyl]-1H-imidazol-4-yl]quinoline?

6-[5-(6-bromo-2-pyridinyl)-2-[(3-fluorophenyl)methyl]-1H-imidazol-4-yl]quinoline;6-[5-(6-bromo-2-pyridinyl)-2-[[3-(trifluoromethyl)phenyl]methyl]-1H-imidazol-4-yl]quinoline has a molecular weight of 968.65 g/mol, XLogP of 13.24, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[5-(6-bromo-2-pyridinyl)-2-[(3-fluorophenyl)methyl]-1H-imidazol-4-yl]quinoline;6-[5-(6-bromo-2-pyridinyl)-2-[[3-(trifluoromethyl)phenyl]methyl]-1H-imidazol-4-yl]quinoline is sourced from PubChem (CID 158008495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).