8-[2-[(3-bromophenyl)methyl]-5-(6-bromo-2-pyridinyl)-1H-imidazol-4-yl]quinoline

C24H16Br2N4 — CID 141252967

About 8-[2-[(3-bromophenyl)methyl]-5-(6-bromo-2-pyridinyl)-1H-imidazol-4-yl]quinoline

8-[2-[(3-bromophenyl)methyl]-5-(6-bromo-2-pyridinyl)-1H-imidazol-4-yl]quinoline (PubChem CID 141252967) has the molecular formula C24H16Br2N4 and a molecular weight of 520.23 g/mol. Its IUPAC name is 8-[2-[(3-bromophenyl)methyl]-5-(6-bromo-2-pyridinyl)-1H-imidazol-4-yl]quinoline.

Molecular Properties

• Compound Name: 8-[2-[(3-bromophenyl)methyl]-5-(6-bromo-2-pyridinyl)-1H-imidazol-4-yl]quinoline
• PubChem CID: 141252967
• Molecular Formula: C24H16Br2N4
• Molecular Weight: 520.23 g/mol
• Exact Mass: 517.97
• IUPAC Name: 8-[2-[(3-bromophenyl)methyl]-5-(6-bromo-2-pyridinyl)-1H-imidazol-4-yl]quinoline
• SMILES: Brc1cccc(Cc2nc(-c3cccc4cccnc34)c(-c3cccc(Br)n3)[nH]2)c1
• InChI: InChI=1S/C24H16Br2N4/c25-17-8-1-5-15(13-17)14-21-29-23(24(30-21)19-10-3-11-20(26)28-19)18-9-2-6-16-7-4-12-27-22(16)18/h1-13H,14H2,(H,29,30)
• InChIKey: YHMMQOZSHROSHC-UHFFFAOYSA-N
• XLogP: 6.80
• TPSA: 54.46 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	520.23
LogP ≤ 5	6.80
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 8-[2-[(3-bromophenyl)methyl]-5-(6-bromo-2-pyridinyl)-1H-imidazol-4-yl]quinoline?

The IUPAC name of 8-[2-[(3-bromophenyl)methyl]-5-(6-bromo-2-pyridinyl)-1H-imidazol-4-yl]quinoline (CID 141252967) is 8-[2-[(3-bromophenyl)methyl]-5-(6-bromo-2-pyridinyl)-1H-imidazol-4-yl]quinoline.

What is the SMILES notation for 8-[2-[(3-bromophenyl)methyl]-5-(6-bromo-2-pyridinyl)-1H-imidazol-4-yl]quinoline?

The canonical SMILES for 8-[2-[(3-bromophenyl)methyl]-5-(6-bromo-2-pyridinyl)-1H-imidazol-4-yl]quinoline is Brc1cccc(Cc2nc(-c3cccc4cccnc34)c(-c3cccc(Br)n3)[nH]2)c1.

What is the InChIKey of 8-[2-[(3-bromophenyl)methyl]-5-(6-bromo-2-pyridinyl)-1H-imidazol-4-yl]quinoline?

The InChIKey is YHMMQOZSHROSHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16Br2N4/c25-17-8-1-5-15(13-17)14-21-29-23(24(30-21)19-10-3-11-20(26)28-19)18-9-2-6-16-7-4-12-27-22(16)18/h1-13H,14H2,(H,29,30).

What are the key properties of 8-[2-[(3-bromophenyl)methyl]-5-(6-bromo-2-pyridinyl)-1H-imidazol-4-yl]quinoline?

8-[2-[(3-bromophenyl)methyl]-5-(6-bromo-2-pyridinyl)-1H-imidazol-4-yl]quinoline has a molecular weight of 520.23 g/mol, XLogP of 6.80, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 8-[2-[(3-bromophenyl)methyl]-5-(6-bromo-2-pyridinyl)-1H-imidazol-4-yl]quinoline is sourced from PubChem (CID 141252967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).