5-bromo-3-[5-(4-bromophenyl)-4-phenyl-1H-imidazol-2-yl]-2-methyl-1H-indole

C24H17Br2N3 — CID 118602056

About 5-bromo-3-[5-(4-bromophenyl)-4-phenyl-1H-imidazol-2-yl]-2-methyl-1H-indole

5-bromo-3-[5-(4-bromophenyl)-4-phenyl-1H-imidazol-2-yl]-2-methyl-1H-indole (PubChem CID 118602056) has the molecular formula C24H17Br2N3 and a molecular weight of 507.23 g/mol. Its IUPAC name is 5-bromo-3-[5-(4-bromophenyl)-4-phenyl-1H-imidazol-2-yl]-2-methyl-1H-indole.

Molecular Properties

• Compound Name: 5-bromo-3-[5-(4-bromophenyl)-4-phenyl-1H-imidazol-2-yl]-2-methyl-1H-indole
• PubChem CID: 118602056
• Molecular Formula: C24H17Br2N3
• Molecular Weight: 507.23 g/mol
• Exact Mass: 504.98
• IUPAC Name: 5-bromo-3-[5-(4-bromophenyl)-4-phenyl-1H-imidazol-2-yl]-2-methyl-1H-indole
• SMILES: Cc1[nH]c2ccc(Br)cc2c1-c1nc(-c2ccccc2)c(-c2ccc(Br)cc2)[nH]1
• InChI: InChI=1S/C24H17Br2N3/c1-14-21(19-13-18(26)11-12-20(19)27-14)24-28-22(15-5-3-2-4-6-15)23(29-24)16-7-9-17(25)10-8-16/h2-13,27H,1H3,(H,28,29)
• InChIKey: CUAXNKPNIPUMTN-UHFFFAOYSA-N
• XLogP: 7.73
• TPSA: 44.47 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 1
• Rotatable Bonds: 3
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	507.23
LogP ≤ 5	7.73
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imidazole_A(19)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-[5-(4-bromophenyl)-4-phenyl-1H-imidazol-2-yl]-2-methyl-1H-indole?

The IUPAC name of 5-bromo-3-[5-(4-bromophenyl)-4-phenyl-1H-imidazol-2-yl]-2-methyl-1H-indole (CID 118602056) is 5-bromo-3-[5-(4-bromophenyl)-4-phenyl-1H-imidazol-2-yl]-2-methyl-1H-indole.

What is the SMILES notation for 5-bromo-3-[5-(4-bromophenyl)-4-phenyl-1H-imidazol-2-yl]-2-methyl-1H-indole?

The canonical SMILES for 5-bromo-3-[5-(4-bromophenyl)-4-phenyl-1H-imidazol-2-yl]-2-methyl-1H-indole is Cc1[nH]c2ccc(Br)cc2c1-c1nc(-c2ccccc2)c(-c2ccc(Br)cc2)[nH]1.

What is the InChIKey of 5-bromo-3-[5-(4-bromophenyl)-4-phenyl-1H-imidazol-2-yl]-2-methyl-1H-indole?

The InChIKey is CUAXNKPNIPUMTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17Br2N3/c1-14-21(19-13-18(26)11-12-20(19)27-14)24-28-22(15-5-3-2-4-6-15)23(29-24)16-7-9-17(25)10-8-16/h2-13,27H,1H3,(H,28,29).

What are the key properties of 5-bromo-3-[5-(4-bromophenyl)-4-phenyl-1H-imidazol-2-yl]-2-methyl-1H-indole?

5-bromo-3-[5-(4-bromophenyl)-4-phenyl-1H-imidazol-2-yl]-2-methyl-1H-indole has a molecular weight of 507.23 g/mol, XLogP of 7.73, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 5-bromo-3-[5-(4-bromophenyl)-4-phenyl-1H-imidazol-2-yl]-2-methyl-1H-indole is sourced from PubChem (CID 118602056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).