5-fluoro-2-propan-2-yl-8-[1-(2,4,6-trimethylphenyl)benzimidazol-2-yl]-[1]benzofuro[2,3-b]pyridine

C30H26FN3O — CID 156668836

About 5-fluoro-2-propan-2-yl-8-[1-(2,4,6-trimethylphenyl)benzimidazol-2-yl]-[1]benzofuro[2,3-b]pyridine

5-fluoro-2-propan-2-yl-8-[1-(2,4,6-trimethylphenyl)benzimidazol-2-yl]-[1]benzofuro[2,3-b]pyridine (PubChem CID 156668836) has the molecular formula C30H26FN3O and a molecular weight of 463.56 g/mol. Its IUPAC name is 5-fluoro-2-propan-2-yl-8-[1-(2,4,6-trimethylphenyl)benzimidazol-2-yl]-[1]benzofuro[2,3-b]pyridine.

Molecular Properties

• Compound Name: 5-fluoro-2-propan-2-yl-8-[1-(2,4,6-trimethylphenyl)benzimidazol-2-yl]-[1]benzofuro[2,3-b]pyridine
• PubChem CID: 156668836
• Molecular Formula: C30H26FN3O
• Molecular Weight: 463.56 g/mol
• Exact Mass: 463.21
• IUPAC Name: 5-fluoro-2-propan-2-yl-8-[1-(2,4,6-trimethylphenyl)benzimidazol-2-yl]-[1]benzofuro[2,3-b]pyridine
• SMILES: Cc1cc(C)c(-n2c(-c3ccc(F)c4c3oc3nc(C(C)C)ccc34)nc3ccccc32)c(C)c1
• InChI: InChI=1S/C30H26FN3O/c1-16(2)23-13-11-20-26-22(31)12-10-21(28(26)35-30(20)33-23)29-32-24-8-6-7-9-25(24)34(29)27-18(4)14-17(3)15-19(27)5/h6-16H,1-5H3
• InChIKey: OWRDZZQSPNSAEH-UHFFFAOYSA-N
• XLogP: 8.17
• TPSA: 43.85 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	463.56
LogP ≤ 5	8.17
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-propan-2-yl-8-[1-(2,4,6-trimethylphenyl)benzimidazol-2-yl]-[1]benzofuro[2,3-b]pyridine?

The IUPAC name of 5-fluoro-2-propan-2-yl-8-[1-(2,4,6-trimethylphenyl)benzimidazol-2-yl]-[1]benzofuro[2,3-b]pyridine (CID 156668836) is 5-fluoro-2-propan-2-yl-8-[1-(2,4,6-trimethylphenyl)benzimidazol-2-yl]-[1]benzofuro[2,3-b]pyridine.

What is the SMILES notation for 5-fluoro-2-propan-2-yl-8-[1-(2,4,6-trimethylphenyl)benzimidazol-2-yl]-[1]benzofuro[2,3-b]pyridine?

The canonical SMILES for 5-fluoro-2-propan-2-yl-8-[1-(2,4,6-trimethylphenyl)benzimidazol-2-yl]-[1]benzofuro[2,3-b]pyridine is Cc1cc(C)c(-n2c(-c3ccc(F)c4c3oc3nc(C(C)C)ccc34)nc3ccccc32)c(C)c1.

What is the InChIKey of 5-fluoro-2-propan-2-yl-8-[1-(2,4,6-trimethylphenyl)benzimidazol-2-yl]-[1]benzofuro[2,3-b]pyridine?

The InChIKey is OWRDZZQSPNSAEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26FN3O/c1-16(2)23-13-11-20-26-22(31)12-10-21(28(26)35-30(20)33-23)29-32-24-8-6-7-9-25(24)34(29)27-18(4)14-17(3)15-19(27)5/h6-16H,1-5H3.

What are the key properties of 5-fluoro-2-propan-2-yl-8-[1-(2,4,6-trimethylphenyl)benzimidazol-2-yl]-[1]benzofuro[2,3-b]pyridine?

5-fluoro-2-propan-2-yl-8-[1-(2,4,6-trimethylphenyl)benzimidazol-2-yl]-[1]benzofuro[2,3-b]pyridine has a molecular weight of 463.56 g/mol, XLogP of 8.17, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 5-fluoro-2-propan-2-yl-8-[1-(2,4,6-trimethylphenyl)benzimidazol-2-yl]-[1]benzofuro[2,3-b]pyridine is sourced from PubChem (CID 156668836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).