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

C24H17BrFN5 — CID 44545647

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

6-[2-[(3-bromo-4-fluorophenyl)methyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinoxaline (PubChem CID 44545647) has the molecular formula C24H17BrFN5 and a molecular weight of 474.34 g/mol. Its IUPAC name is 6-[2-[(3-bromo-4-fluorophenyl)methyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinoxaline.

Molecular Properties

• Compound Name: 6-[2-[(3-bromo-4-fluorophenyl)methyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinoxaline
• PubChem CID: 44545647
• Molecular Formula: C24H17BrFN5
• Molecular Weight: 474.34 g/mol
• Exact Mass: 473.07
• IUPAC Name: 6-[2-[(3-bromo-4-fluorophenyl)methyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinoxaline
• SMILES: Cc1cccc(-c2[nH]c(Cc3ccc(F)c(Br)c3)nc2-c2ccc3nccnc3c2)n1
• InChI: InChI=1S/C24H17BrFN5/c1-14-3-2-4-20(29-14)24-23(16-6-8-19-21(13-16)28-10-9-27-19)30-22(31-24)12-15-5-7-18(26)17(25)11-15/h2-11,13H,12H2,1H3,(H,30,31)
• InChIKey: MAAYUTTWPUUIBS-UHFFFAOYSA-N
• XLogP: 5.88
• TPSA: 67.35 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	474.34
LogP ≤ 5	5.88
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of 6-[2-[(3-bromo-4-fluorophenyl)methyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinoxaline (CID 44545647) is 6-[2-[(3-bromo-4-fluorophenyl)methyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinoxaline.

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

The canonical SMILES for 6-[2-[(3-bromo-4-fluorophenyl)methyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinoxaline is Cc1cccc(-c2[nH]c(Cc3ccc(F)c(Br)c3)nc2-c2ccc3nccnc3c2)n1.

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

The InChIKey is MAAYUTTWPUUIBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17BrFN5/c1-14-3-2-4-20(29-14)24-23(16-6-8-19-21(13-16)28-10-9-27-19)30-22(31-24)12-15-5-7-18(26)17(25)11-15/h2-11,13H,12H2,1H3,(H,30,31).

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

6-[2-[(3-bromo-4-fluorophenyl)methyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinoxaline has a molecular weight of 474.34 g/mol, XLogP of 5.88, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[2-[(3-bromo-4-fluorophenyl)methyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinoxaline is sourced from PubChem (CID 44545647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).