2-(4-bromophenyl)imidazo[1,2-a]pyridine;2-(4-bromophenyl)-3-iodoimidazo[1,2-a]pyridine;bis(2-(4-bromophenyl)-3-phenylimidazo[1,2-a]pyridine);(9,10-dinaphthalen-2-ylanthracen-2-yl)boronic acid

C98H66BBr4IN8O2 — CID 160824168

About 2-(4-bromophenyl)imidazo[1,2-a]pyridine;2-(4-bromophenyl)-3-iodoimidazo[1,2-a]pyridine;bis(2-(4-bromophenyl)-3-phenylimidazo[1,2-a]pyridine);(9,10-dinaphthalen-2-ylanthracen-2-yl)boronic acid

2-(4-bromophenyl)imidazo[1,2-a]pyridine;2-(4-bromophenyl)-3-iodoimidazo[1,2-a]pyridine;bis(2-(4-bromophenyl)-3-phenylimidazo[1,2-a]pyridine);(9,10-dinaphthalen-2-ylanthracen-2-yl)boronic acid (PubChem CID 160824168) has the molecular formula C98H66BBr4IN8O2 and a molecular weight of 1844.99 g/mol. Its IUPAC name is 2-(4-bromophenyl)imidazo[1,2-a]pyridine;2-(4-bromophenyl)-3-iodoimidazo[1,2-a]pyridine;bis(2-(4-bromophenyl)-3-phenylimidazo[1,2-a]pyridine);(9,10-dinaphthalen-2-ylanthracen-2-yl)boronic acid.

Molecular Properties

• Compound Name: 2-(4-bromophenyl)imidazo[1,2-a]pyridine;2-(4-bromophenyl)-3-iodoimidazo[1,2-a]pyridine;bis(2-(4-bromophenyl)-3-phenylimidazo[1,2-a]pyridine);(9,10-dinaphthalen-2-ylanthracen-2-yl)boronic acid
• PubChem CID: 160824168
• Molecular Formula: C98H66BBr4IN8O2
• Molecular Weight: 1844.99 g/mol
• Exact Mass: 1840.12
• IUPAC Name: 2-(4-bromophenyl)imidazo[1,2-a]pyridine;2-(4-bromophenyl)-3-iodoimidazo[1,2-a]pyridine;bis(2-(4-bromophenyl)-3-phenylimidazo[1,2-a]pyridine);(9,10-dinaphthalen-2-ylanthracen-2-yl)boronic acid
• SMILES: Brc1ccc(-c2cn3ccccc3n2)cc1.Brc1ccc(-c2nc3ccccn3c2-c2ccccc2)cc1.Brc1ccc(-c2nc3ccccn3c2-c2ccccc2)cc1.Brc1ccc(-c2nc3ccccn3c2I)cc1.OB(O)c1ccc2c(-c3ccc4ccccc4c3)c3ccccc3c(-c3ccc4ccccc4c3)c2c1
• InChI: InChI=1S/C34H23BO2.2C19H13BrN2.C13H8BrIN2.C13H9BrN2/c36-35(37)28-17-18-31-32(21-28)34(27-16-14-23-8-2-4-10-25(23)20-27)30-12-6-5-11-29(30)33(31)26-15-13-22-7-1-3-9-24(22)19-26;2*20-16-11-9-14(10-12-16)18-19(15-6-2-1-3-7-15)22-13-5-4-8-17(22)21-18;14-10-6-4-9(5-7-10)12-13(15)17-8-2-1-3-11(17)16-12;14-11-6-4-10(5-7-11)12-9-16-8-2-1-3-13(16)15-12/h1-21,36-37H;2*1-13H;1-8H;1-9H
• InChIKey: SFYDMBMJLVEJBA-UHFFFAOYSA-N
• XLogP: 26.31
• TPSA: 109.66 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 9
• Heavy Atoms: 114
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1844.99
LogP ≤ 5	26.31
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)imidazo[1,2-a]pyridine;2-(4-bromophenyl)-3-iodoimidazo[1,2-a]pyridine;bis(2-(4-bromophenyl)-3-phenylimidazo[1,2-a]pyridine);(9,10-dinaphthalen-2-ylanthracen-2-yl)boronic acid?

The IUPAC name of 2-(4-bromophenyl)imidazo[1,2-a]pyridine;2-(4-bromophenyl)-3-iodoimidazo[1,2-a]pyridine;bis(2-(4-bromophenyl)-3-phenylimidazo[1,2-a]pyridine);(9,10-dinaphthalen-2-ylanthracen-2-yl)boronic acid (CID 160824168) is 2-(4-bromophenyl)imidazo[1,2-a]pyridine;2-(4-bromophenyl)-3-iodoimidazo[1,2-a]pyridine;bis(2-(4-bromophenyl)-3-phenylimidazo[1,2-a]pyridine);(9,10-dinaphthalen-2-ylanthracen-2-yl)boronic acid.

What is the SMILES notation for 2-(4-bromophenyl)imidazo[1,2-a]pyridine;2-(4-bromophenyl)-3-iodoimidazo[1,2-a]pyridine;bis(2-(4-bromophenyl)-3-phenylimidazo[1,2-a]pyridine);(9,10-dinaphthalen-2-ylanthracen-2-yl)boronic acid?

The canonical SMILES for 2-(4-bromophenyl)imidazo[1,2-a]pyridine;2-(4-bromophenyl)-3-iodoimidazo[1,2-a]pyridine;bis(2-(4-bromophenyl)-3-phenylimidazo[1,2-a]pyridine);(9,10-dinaphthalen-2-ylanthracen-2-yl)boronic acid is Brc1ccc(-c2cn3ccccc3n2)cc1.Brc1ccc(-c2nc3ccccn3c2-c2ccccc2)cc1.Brc1ccc(-c2nc3ccccn3c2-c2ccccc2)cc1.Brc1ccc(-c2nc3ccccn3c2I)cc1.OB(O)c1ccc2c(-c3ccc4ccccc4c3)c3ccccc3c(-c3ccc4ccccc4c3)c2c1.

What is the InChIKey of 2-(4-bromophenyl)imidazo[1,2-a]pyridine;2-(4-bromophenyl)-3-iodoimidazo[1,2-a]pyridine;bis(2-(4-bromophenyl)-3-phenylimidazo[1,2-a]pyridine);(9,10-dinaphthalen-2-ylanthracen-2-yl)boronic acid?

The InChIKey is SFYDMBMJLVEJBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H23BO2.2C19H13BrN2.C13H8BrIN2.C13H9BrN2/c36-35(37)28-17-18-31-32(21-28)34(27-16-14-23-8-2-4-10-25(23)20-27)30-12-6-5-11-29(30)33(31)26-15-13-22-7-1-3-9-24(22)19-26;2*20-16-11-9-14(10-12-16)18-19(15-6-2-1-3-7-15)22-13-5-4-8-17(22)21-18;14-10-6-4-9(5-7-10)12-13(15)17-8-2-1-3-11(17)16-12;14-11-6-4-10(5-7-11)12-9-16-8-2-1-3-13(16)15-12/h1-21,36-37H;2*1-13H;1-8H;1-9H.

What are the key properties of 2-(4-bromophenyl)imidazo[1,2-a]pyridine;2-(4-bromophenyl)-3-iodoimidazo[1,2-a]pyridine;bis(2-(4-bromophenyl)-3-phenylimidazo[1,2-a]pyridine);(9,10-dinaphthalen-2-ylanthracen-2-yl)boronic acid?

2-(4-bromophenyl)imidazo[1,2-a]pyridine;2-(4-bromophenyl)-3-iodoimidazo[1,2-a]pyridine;bis(2-(4-bromophenyl)-3-phenylimidazo[1,2-a]pyridine);(9,10-dinaphthalen-2-ylanthracen-2-yl)boronic acid has a molecular weight of 1844.99 g/mol, XLogP of 26.31, 9 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-bromophenyl)imidazo[1,2-a]pyridine;2-(4-bromophenyl)-3-iodoimidazo[1,2-a]pyridine;bis(2-(4-bromophenyl)-3-phenylimidazo[1,2-a]pyridine);(9,10-dinaphthalen-2-ylanthracen-2-yl)boronic acid is sourced from PubChem (CID 160824168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).