3-[4-methyl-1-(2-phenylphenyl)imidazo[4,5-c]pyridin-2-yl]-8-propan-2-yl-[1]benzofuro[2,3-b]pyridine

C33H26N4O — CID 156668332

About 3-[4-methyl-1-(2-phenylphenyl)imidazo[4,5-c]pyridin-2-yl]-8-propan-2-yl-[1]benzofuro[2,3-b]pyridine

3-[4-methyl-1-(2-phenylphenyl)imidazo[4,5-c]pyridin-2-yl]-8-propan-2-yl-[1]benzofuro[2,3-b]pyridine (PubChem CID 156668332) has the molecular formula C33H26N4O and a molecular weight of 494.60 g/mol. Its IUPAC name is 3-[4-methyl-1-(2-phenylphenyl)imidazo[4,5-c]pyridin-2-yl]-8-propan-2-yl-[1]benzofuro[2,3-b]pyridine.

Molecular Properties

• Compound Name: 3-[4-methyl-1-(2-phenylphenyl)imidazo[4,5-c]pyridin-2-yl]-8-propan-2-yl-[1]benzofuro[2,3-b]pyridine
• PubChem CID: 156668332
• Molecular Formula: C33H26N4O
• Molecular Weight: 494.60 g/mol
• Exact Mass: 494.21
• IUPAC Name: 3-[4-methyl-1-(2-phenylphenyl)imidazo[4,5-c]pyridin-2-yl]-8-propan-2-yl-[1]benzofuro[2,3-b]pyridine
• SMILES: Cc1nccc2c1nc(-c1cnc3oc4c(C(C)C)cccc4c3c1)n2-c1ccccc1-c1ccccc1
• InChI: InChI=1S/C33H26N4O/c1-20(2)24-13-9-14-26-27-18-23(19-35-33(27)38-31(24)26)32-36-30-21(3)34-17-16-29(30)37(32)28-15-8-7-12-25(28)22-10-5-4-6-11-22/h4-20H,1-3H3
• InChIKey: HWHVSWDRHHBCAU-UHFFFAOYSA-N
• XLogP: 8.48
• TPSA: 56.74 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	494.60
LogP ≤ 5	8.48
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 3-[4-methyl-1-(2-phenylphenyl)imidazo[4,5-c]pyridin-2-yl]-8-propan-2-yl-[1]benzofuro[2,3-b]pyridine (CID 156668332) is 3-[4-methyl-1-(2-phenylphenyl)imidazo[4,5-c]pyridin-2-yl]-8-propan-2-yl-[1]benzofuro[2,3-b]pyridine.

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

The canonical SMILES for 3-[4-methyl-1-(2-phenylphenyl)imidazo[4,5-c]pyridin-2-yl]-8-propan-2-yl-[1]benzofuro[2,3-b]pyridine is Cc1nccc2c1nc(-c1cnc3oc4c(C(C)C)cccc4c3c1)n2-c1ccccc1-c1ccccc1.

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

The InChIKey is HWHVSWDRHHBCAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H26N4O/c1-20(2)24-13-9-14-26-27-18-23(19-35-33(27)38-31(24)26)32-36-30-21(3)34-17-16-29(30)37(32)28-15-8-7-12-25(28)22-10-5-4-6-11-22/h4-20H,1-3H3.

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

3-[4-methyl-1-(2-phenylphenyl)imidazo[4,5-c]pyridin-2-yl]-8-propan-2-yl-[1]benzofuro[2,3-b]pyridine has a molecular weight of 494.60 g/mol, XLogP of 8.48, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[4-methyl-1-(2-phenylphenyl)imidazo[4,5-c]pyridin-2-yl]-8-propan-2-yl-[1]benzofuro[2,3-b]pyridine is sourced from PubChem (CID 156668332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).