8-[1-(4-tert-butyl-2-phenylphenyl)benzimidazol-2-yl]-5-methyl-2-propan-2-yl-[1]benzofuro[2,3-b]pyridine

C38H35N3O — CID 156670369

About 8-[1-(4-tert-butyl-2-phenylphenyl)benzimidazol-2-yl]-5-methyl-2-propan-2-yl-[1]benzofuro[2,3-b]pyridine

8-[1-(4-tert-butyl-2-phenylphenyl)benzimidazol-2-yl]-5-methyl-2-propan-2-yl-[1]benzofuro[2,3-b]pyridine (PubChem CID 156670369) has the molecular formula C38H35N3O and a molecular weight of 549.72 g/mol. Its IUPAC name is 8-[1-(4-tert-butyl-2-phenylphenyl)benzimidazol-2-yl]-5-methyl-2-propan-2-yl-[1]benzofuro[2,3-b]pyridine.

Molecular Properties

• Compound Name: 8-[1-(4-tert-butyl-2-phenylphenyl)benzimidazol-2-yl]-5-methyl-2-propan-2-yl-[1]benzofuro[2,3-b]pyridine
• PubChem CID: 156670369
• Molecular Formula: C38H35N3O
• Molecular Weight: 549.72 g/mol
• Exact Mass: 549.28
• IUPAC Name: 8-[1-(4-tert-butyl-2-phenylphenyl)benzimidazol-2-yl]-5-methyl-2-propan-2-yl-[1]benzofuro[2,3-b]pyridine
• SMILES: Cc1ccc(-c2nc3ccccc3n2-c2ccc(C(C)(C)C)cc2-c2ccccc2)c2oc3nc(C(C)C)ccc3c12
• InChI: InChI=1S/C38H35N3O/c1-23(2)30-20-19-27-34-24(3)16-18-28(35(34)42-37(27)40-30)36-39-31-14-10-11-15-33(31)41(36)32-21-17-26(38(4,5)6)22-29(32)25-12-8-7-9-13-25/h7-23H,1-6H3
• InChIKey: PFDUCMQPGLCBJE-UHFFFAOYSA-N
• XLogP: 10.38
• TPSA: 43.85 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	549.72
LogP ≤ 5	10.38
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 8-[1-(4-tert-butyl-2-phenylphenyl)benzimidazol-2-yl]-5-methyl-2-propan-2-yl-[1]benzofuro[2,3-b]pyridine?

The IUPAC name of 8-[1-(4-tert-butyl-2-phenylphenyl)benzimidazol-2-yl]-5-methyl-2-propan-2-yl-[1]benzofuro[2,3-b]pyridine (CID 156670369) is 8-[1-(4-tert-butyl-2-phenylphenyl)benzimidazol-2-yl]-5-methyl-2-propan-2-yl-[1]benzofuro[2,3-b]pyridine.

What is the SMILES notation for 8-[1-(4-tert-butyl-2-phenylphenyl)benzimidazol-2-yl]-5-methyl-2-propan-2-yl-[1]benzofuro[2,3-b]pyridine?

The canonical SMILES for 8-[1-(4-tert-butyl-2-phenylphenyl)benzimidazol-2-yl]-5-methyl-2-propan-2-yl-[1]benzofuro[2,3-b]pyridine is Cc1ccc(-c2nc3ccccc3n2-c2ccc(C(C)(C)C)cc2-c2ccccc2)c2oc3nc(C(C)C)ccc3c12.

What is the InChIKey of 8-[1-(4-tert-butyl-2-phenylphenyl)benzimidazol-2-yl]-5-methyl-2-propan-2-yl-[1]benzofuro[2,3-b]pyridine?

The InChIKey is PFDUCMQPGLCBJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H35N3O/c1-23(2)30-20-19-27-34-24(3)16-18-28(35(34)42-37(27)40-30)36-39-31-14-10-11-15-33(31)41(36)32-21-17-26(38(4,5)6)22-29(32)25-12-8-7-9-13-25/h7-23H,1-6H3.

What are the key properties of 8-[1-(4-tert-butyl-2-phenylphenyl)benzimidazol-2-yl]-5-methyl-2-propan-2-yl-[1]benzofuro[2,3-b]pyridine?

8-[1-(4-tert-butyl-2-phenylphenyl)benzimidazol-2-yl]-5-methyl-2-propan-2-yl-[1]benzofuro[2,3-b]pyridine has a molecular weight of 549.72 g/mol, XLogP of 10.38, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 8-[1-(4-tert-butyl-2-phenylphenyl)benzimidazol-2-yl]-5-methyl-2-propan-2-yl-[1]benzofuro[2,3-b]pyridine is sourced from PubChem (CID 156670369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).