8-[1-[2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-5-propan-2-yl-[1]benzofuro[2,3-b]pyridine

C33H33N3O — CID 156668797

About 8-[1-[2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-5-propan-2-yl-[1]benzofuro[2,3-b]pyridine

8-[1-[2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-5-propan-2-yl-[1]benzofuro[2,3-b]pyridine (PubChem CID 156668797) has the molecular formula C33H33N3O and a molecular weight of 487.65 g/mol. Its IUPAC name is 8-[1-[2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-5-propan-2-yl-[1]benzofuro[2,3-b]pyridine.

Molecular Properties

• Compound Name: 8-[1-[2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-5-propan-2-yl-[1]benzofuro[2,3-b]pyridine
• PubChem CID: 156668797
• Molecular Formula: C33H33N3O
• Molecular Weight: 487.65 g/mol
• Exact Mass: 487.26
• IUPAC Name: 8-[1-[2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-5-propan-2-yl-[1]benzofuro[2,3-b]pyridine
• SMILES: CC(C)c1cccc(C(C)C)c1-n1c(-c2ccc(C(C)C)c3c2oc2ncccc23)nc2ccccc21
• InChI: InChI=1S/C33H33N3O/c1-19(2)22-16-17-26(31-29(22)25-13-10-18-34-33(25)37-31)32-35-27-14-7-8-15-28(27)36(32)30-23(20(3)4)11-9-12-24(30)21(5)6/h7-21H,1-6H3
• InChIKey: HELZQJLXIAXCAM-UHFFFAOYSA-N
• XLogP: 9.36
• TPSA: 43.85 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	487.65
LogP ≤ 5	9.36
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 8-[1-[2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-5-propan-2-yl-[1]benzofuro[2,3-b]pyridine?

The IUPAC name of 8-[1-[2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-5-propan-2-yl-[1]benzofuro[2,3-b]pyridine (CID 156668797) is 8-[1-[2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-5-propan-2-yl-[1]benzofuro[2,3-b]pyridine.

What is the SMILES notation for 8-[1-[2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-5-propan-2-yl-[1]benzofuro[2,3-b]pyridine?

The canonical SMILES for 8-[1-[2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-5-propan-2-yl-[1]benzofuro[2,3-b]pyridine is CC(C)c1cccc(C(C)C)c1-n1c(-c2ccc(C(C)C)c3c2oc2ncccc23)nc2ccccc21.

What is the InChIKey of 8-[1-[2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-5-propan-2-yl-[1]benzofuro[2,3-b]pyridine?

The InChIKey is HELZQJLXIAXCAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H33N3O/c1-19(2)22-16-17-26(31-29(22)25-13-10-18-34-33(25)37-31)32-35-27-14-7-8-15-28(27)36(32)30-23(20(3)4)11-9-12-24(30)21(5)6/h7-21H,1-6H3.

What are the key properties of 8-[1-[2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-5-propan-2-yl-[1]benzofuro[2,3-b]pyridine?

8-[1-[2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-5-propan-2-yl-[1]benzofuro[2,3-b]pyridine has a molecular weight of 487.65 g/mol, XLogP of 9.36, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 8-[1-[2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-5-propan-2-yl-[1]benzofuro[2,3-b]pyridine is sourced from PubChem (CID 156668797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).