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

C48H32Br3FN8 — CID 157447083

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

6-[2-[(3-bromophenyl)methyl]-5-(6-bromo-2-pyridinyl)-1H-imidazol-4-yl]quinoline;6-[5-(6-bromo-2-pyridinyl)-2-[(3-fluorophenyl)methyl]-1H-imidazol-4-yl]quinoline (PubChem CID 157447083) has the molecular formula C48H32Br3FN8 and a molecular weight of 979.55 g/mol. Its IUPAC name is 6-[2-[(3-bromophenyl)methyl]-5-(6-bromo-2-pyridinyl)-1H-imidazol-4-yl]quinoline;6-[5-(6-bromo-2-pyridinyl)-2-[(3-fluorophenyl)methyl]-1H-imidazol-4-yl]quinoline.

Molecular Properties

• Compound Name: 6-[2-[(3-bromophenyl)methyl]-5-(6-bromo-2-pyridinyl)-1H-imidazol-4-yl]quinoline;6-[5-(6-bromo-2-pyridinyl)-2-[(3-fluorophenyl)methyl]-1H-imidazol-4-yl]quinoline
• PubChem CID: 157447083
• Molecular Formula: C48H32Br3FN8
• Molecular Weight: 979.55 g/mol
• Exact Mass: 976.03
• IUPAC Name: 6-[2-[(3-bromophenyl)methyl]-5-(6-bromo-2-pyridinyl)-1H-imidazol-4-yl]quinoline;6-[5-(6-bromo-2-pyridinyl)-2-[(3-fluorophenyl)methyl]-1H-imidazol-4-yl]quinoline
• SMILES: Brc1cccc(Cc2nc(-c3ccc4ncccc4c3)c(-c3cccc(Br)n3)[nH]2)c1.Fc1cccc(Cc2nc(-c3ccc4ncccc4c3)c(-c3cccc(Br)n3)[nH]2)c1
• InChI: InChI=1S/C24H16Br2N4.C24H16BrFN4/c25-18-6-1-4-15(12-18)13-22-29-23(24(30-22)20-7-2-8-21(26)28-20)17-9-10-19-16(14-17)5-3-11-27-19;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/h2*1-12,14H,13H2,(H,29,30)
• InChIKey: BSIRSUPRXMDVOT-UHFFFAOYSA-N
• XLogP: 12.98
• TPSA: 108.92 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	979.55
LogP ≤ 5	12.98
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-[2-[(3-bromophenyl)methyl]-5-(6-bromo-2-pyridinyl)-1H-imidazol-4-yl]quinoline;6-[5-(6-bromo-2-pyridinyl)-2-[(3-fluorophenyl)methyl]-1H-imidazol-4-yl]quinoline?

The IUPAC name of 6-[2-[(3-bromophenyl)methyl]-5-(6-bromo-2-pyridinyl)-1H-imidazol-4-yl]quinoline;6-[5-(6-bromo-2-pyridinyl)-2-[(3-fluorophenyl)methyl]-1H-imidazol-4-yl]quinoline (CID 157447083) is 6-[2-[(3-bromophenyl)methyl]-5-(6-bromo-2-pyridinyl)-1H-imidazol-4-yl]quinoline;6-[5-(6-bromo-2-pyridinyl)-2-[(3-fluorophenyl)methyl]-1H-imidazol-4-yl]quinoline.

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

The canonical SMILES for 6-[2-[(3-bromophenyl)methyl]-5-(6-bromo-2-pyridinyl)-1H-imidazol-4-yl]quinoline;6-[5-(6-bromo-2-pyridinyl)-2-[(3-fluorophenyl)methyl]-1H-imidazol-4-yl]quinoline is Brc1cccc(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-[2-[(3-bromophenyl)methyl]-5-(6-bromo-2-pyridinyl)-1H-imidazol-4-yl]quinoline;6-[5-(6-bromo-2-pyridinyl)-2-[(3-fluorophenyl)methyl]-1H-imidazol-4-yl]quinoline?

The InChIKey is BSIRSUPRXMDVOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16Br2N4.C24H16BrFN4/c25-18-6-1-4-15(12-18)13-22-29-23(24(30-22)20-7-2-8-21(26)28-20)17-9-10-19-16(14-17)5-3-11-27-19;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/h2*1-12,14H,13H2,(H,29,30).

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

6-[2-[(3-bromophenyl)methyl]-5-(6-bromo-2-pyridinyl)-1H-imidazol-4-yl]quinoline;6-[5-(6-bromo-2-pyridinyl)-2-[(3-fluorophenyl)methyl]-1H-imidazol-4-yl]quinoline has a molecular weight of 979.55 g/mol, XLogP of 12.98, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[2-[(3-bromophenyl)methyl]-5-(6-bromo-2-pyridinyl)-1H-imidazol-4-yl]quinoline;6-[5-(6-bromo-2-pyridinyl)-2-[(3-fluorophenyl)methyl]-1H-imidazol-4-yl]quinoline is sourced from PubChem (CID 157447083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).