8-(1-dibenzofuran-1-ylbenzimidazol-2-yl)-[1]benzofuro[2,3-b]pyridine

C₃₀H₁₇N₃O₂ — CID 156669158

About 8-(1-dibenzofuran-1-ylbenzimidazol-2-yl)-[1]benzofuro[2,3-b]pyridine

8-(1-dibenzofuran-1-ylbenzimidazol-2-yl)-[1]benzofuro[2,3-b]pyridine (PubChem CID 156669158) has the molecular formula C₃₀H₁₇N₃O₂ and a molecular weight of 451.49 g/mol. Its IUPAC name is 8-(1-dibenzofuran-1-ylbenzimidazol-2-yl)-[1]benzofuro[2,3-b]pyridine.

Molecular Properties

• Compound Name: 8-(1-dibenzofuran-1-ylbenzimidazol-2-yl)-[1]benzofuro[2,3-b]pyridine
• PubChem CID: 156669158
• Molecular Formula: C₃₀H₁₇N₃O₂
• Molecular Weight: 451.49 g/mol
• Exact Mass: 451.13
• IUPAC Name: 8-(1-dibenzofuran-1-ylbenzimidazol-2-yl)-[1]benzofuro[2,3-b]pyridine
• SMILES: c1ccc2c(c1)nc(-c1cccc3c1oc1ncccc13)n2-c1cccc2oc3ccccc3c12
• InChI: InChI=1S/C30H17N3O2/c1-4-15-25-20(8-1)27-24(14-6-16-26(27)34-25)33-23-13-3-2-12-22(23)32-29(33)21-10-5-9-18-19-11-7-17-31-30(19)35-28(18)21/h1-17H
• InChIKey: IHCUWMGIDTUIDV-UHFFFAOYSA-N
• XLogP: 7.89
• TPSA: 56.99 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 2
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	451.49
LogP ≤ 5	7.89
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 8-(1-dibenzofuran-1-ylbenzimidazol-2-yl)-[1]benzofuro[2,3-b]pyridine?

The IUPAC name of 8-(1-dibenzofuran-1-ylbenzimidazol-2-yl)-[1]benzofuro[2,3-b]pyridine (CID 156669158) is 8-(1-dibenzofuran-1-ylbenzimidazol-2-yl)-[1]benzofuro[2,3-b]pyridine.

What is the SMILES notation for 8-(1-dibenzofuran-1-ylbenzimidazol-2-yl)-[1]benzofuro[2,3-b]pyridine?

The canonical SMILES for 8-(1-dibenzofuran-1-ylbenzimidazol-2-yl)-[1]benzofuro[2,3-b]pyridine is c1ccc2c(c1)nc(-c1cccc3c1oc1ncccc13)n2-c1cccc2oc3ccccc3c12.

What is the InChIKey of 8-(1-dibenzofuran-1-ylbenzimidazol-2-yl)-[1]benzofuro[2,3-b]pyridine?

The InChIKey is IHCUWMGIDTUIDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H17N3O2/c1-4-15-25-20(8-1)27-24(14-6-16-26(27)34-25)33-23-13-3-2-12-22(23)32-29(33)21-10-5-9-18-19-11-7-17-31-30(19)35-28(18)21/h1-17H.

What are the key properties of 8-(1-dibenzofuran-1-ylbenzimidazol-2-yl)-[1]benzofuro[2,3-b]pyridine?

8-(1-dibenzofuran-1-ylbenzimidazol-2-yl)-[1]benzofuro[2,3-b]pyridine has a molecular weight of 451.49 g/mol, XLogP of 7.89, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 8-(1-dibenzofuran-1-ylbenzimidazol-2-yl)-[1]benzofuro[2,3-b]pyridine is sourced from PubChem (CID 156669158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 156669158 — identifiers, structure, computed properties (public domain)

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