8-[1-(4-tert-butylphenyl)benzimidazol-2-yl]-4-(4-fluorophenyl)-[1]benzofuro[2,3-b]pyridine

C₃₄H₂₆FN₃O — CID 156667450

About 8-[1-(4-tert-butylphenyl)benzimidazol-2-yl]-4-(4-fluorophenyl)-[1]benzofuro[2,3-b]pyridine

8-[1-(4-tert-butylphenyl)benzimidazol-2-yl]-4-(4-fluorophenyl)-[1]benzofuro[2,3-b]pyridine (PubChem CID 156667450) has the molecular formula C₃₄H₂₆FN₃O and a molecular weight of 511.60 g/mol. Its IUPAC name is 8-[1-(4-tert-butylphenyl)benzimidazol-2-yl]-4-(4-fluorophenyl)-[1]benzofuro[2,3-b]pyridine.

Molecular Properties

• Compound Name: 8-[1-(4-tert-butylphenyl)benzimidazol-2-yl]-4-(4-fluorophenyl)-[1]benzofuro[2,3-b]pyridine
• PubChem CID: 156667450
• Molecular Formula: C₃₄H₂₆FN₃O
• Molecular Weight: 511.60 g/mol
• Exact Mass: 511.21
• IUPAC Name: 8-[1-(4-tert-butylphenyl)benzimidazol-2-yl]-4-(4-fluorophenyl)-[1]benzofuro[2,3-b]pyridine
• SMILES: CC(C)(C)c1ccc(-n2c(-c3cccc4c3oc3nccc(-c5ccc(F)cc5)c34)nc3ccccc32)cc1
• InChI: InChI=1S/C34H26FN3O/c1-34(2,3)22-13-17-24(18-14-22)38-29-10-5-4-9-28(29)37-32(38)27-8-6-7-26-30-25(21-11-15-23(35)16-12-21)19-20-36-33(30)39-31(26)27/h4-20H,1-3H3
• InChIKey: OSXHUYAJDGVEIK-UHFFFAOYSA-N
• XLogP: 9.09
• TPSA: 43.85 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	511.60
LogP ≤ 5	9.09
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 8-[1-(4-tert-butylphenyl)benzimidazol-2-yl]-4-(4-fluorophenyl)-[1]benzofuro[2,3-b]pyridine?

The IUPAC name of 8-[1-(4-tert-butylphenyl)benzimidazol-2-yl]-4-(4-fluorophenyl)-[1]benzofuro[2,3-b]pyridine (CID 156667450) is 8-[1-(4-tert-butylphenyl)benzimidazol-2-yl]-4-(4-fluorophenyl)-[1]benzofuro[2,3-b]pyridine.

What is the SMILES notation for 8-[1-(4-tert-butylphenyl)benzimidazol-2-yl]-4-(4-fluorophenyl)-[1]benzofuro[2,3-b]pyridine?

The canonical SMILES for 8-[1-(4-tert-butylphenyl)benzimidazol-2-yl]-4-(4-fluorophenyl)-[1]benzofuro[2,3-b]pyridine is CC(C)(C)c1ccc(-n2c(-c3cccc4c3oc3nccc(-c5ccc(F)cc5)c34)nc3ccccc32)cc1.

What is the InChIKey of 8-[1-(4-tert-butylphenyl)benzimidazol-2-yl]-4-(4-fluorophenyl)-[1]benzofuro[2,3-b]pyridine?

The InChIKey is OSXHUYAJDGVEIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H26FN3O/c1-34(2,3)22-13-17-24(18-14-22)38-29-10-5-4-9-28(29)37-32(38)27-8-6-7-26-30-25(21-11-15-23(35)16-12-21)19-20-36-33(30)39-31(26)27/h4-20H,1-3H3.

What are the key properties of 8-[1-(4-tert-butylphenyl)benzimidazol-2-yl]-4-(4-fluorophenyl)-[1]benzofuro[2,3-b]pyridine?

8-[1-(4-tert-butylphenyl)benzimidazol-2-yl]-4-(4-fluorophenyl)-[1]benzofuro[2,3-b]pyridine has a molecular weight of 511.60 g/mol, XLogP of 9.09, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 8-[1-(4-tert-butylphenyl)benzimidazol-2-yl]-4-(4-fluorophenyl)-[1]benzofuro[2,3-b]pyridine is sourced from PubChem (CID 156667450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 156667450 — identifiers, structure, computed properties (public domain)

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