8-[6-[[6-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]-2-pyridinyl]oxy]-2-pyridinyl]-2-methyl-[1]benzofuro[2,3-b]pyridine

C37H33N5O2 — CID 140742001

About 8-[6-[[6-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]-2-pyridinyl]oxy]-2-pyridinyl]-2-methyl-[1]benzofuro[2,3-b]pyridine

8-[6-[[6-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]-2-pyridinyl]oxy]-2-pyridinyl]-2-methyl-[1]benzofuro[2,3-b]pyridine (PubChem CID 140742001) has the molecular formula C37H33N5O2 and a molecular weight of 579.70 g/mol. Its IUPAC name is 8-[6-[[6-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]-2-pyridinyl]oxy]-2-pyridinyl]-2-methyl-[1]benzofuro[2,3-b]pyridine.

Molecular Properties

• Compound Name: 8-[6-[[6-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]-2-pyridinyl]oxy]-2-pyridinyl]-2-methyl-[1]benzofuro[2,3-b]pyridine
• PubChem CID: 140742001
• Molecular Formula: C37H33N5O2
• Molecular Weight: 579.70 g/mol
• Exact Mass: 579.26
• IUPAC Name: 8-[6-[[6-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]-2-pyridinyl]oxy]-2-pyridinyl]-2-methyl-[1]benzofuro[2,3-b]pyridine
• SMILES: Cc1ccc2c(n1)oc1c(-c3cccc(Oc4cccc(-c5nccn5-c5c(C(C)C)cccc5C(C)C)n4)n3)cccc12
• InChI: InChI=1S/C37H33N5O2/c1-22(2)25-10-6-11-26(23(3)4)34(25)42-21-20-38-36(42)31-15-9-17-33(41-31)43-32-16-8-14-30(40-32)29-13-7-12-27-28-19-18-24(5)39-37(28)44-35(27)29/h6-23H,1-5H3
• InChIKey: WBLXMWOYKGATPT-UHFFFAOYSA-N
• XLogP: 9.64
• TPSA: 78.86 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	579.70
LogP ≤ 5	9.64
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 8-[6-[[6-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]-2-pyridinyl]oxy]-2-pyridinyl]-2-methyl-[1]benzofuro[2,3-b]pyridine (CID 140742001) is 8-[6-[[6-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]-2-pyridinyl]oxy]-2-pyridinyl]-2-methyl-[1]benzofuro[2,3-b]pyridine.

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

The canonical SMILES for 8-[6-[[6-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]-2-pyridinyl]oxy]-2-pyridinyl]-2-methyl-[1]benzofuro[2,3-b]pyridine is Cc1ccc2c(n1)oc1c(-c3cccc(Oc4cccc(-c5nccn5-c5c(C(C)C)cccc5C(C)C)n4)n3)cccc12.

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

The InChIKey is WBLXMWOYKGATPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H33N5O2/c1-22(2)25-10-6-11-26(23(3)4)34(25)42-21-20-38-36(42)31-15-9-17-33(41-31)43-32-16-8-14-30(40-32)29-13-7-12-27-28-19-18-24(5)39-37(28)44-35(27)29/h6-23H,1-5H3.

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

8-[6-[[6-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]-2-pyridinyl]oxy]-2-pyridinyl]-2-methyl-[1]benzofuro[2,3-b]pyridine has a molecular weight of 579.70 g/mol, XLogP of 9.64, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 8-[6-[[6-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]-2-pyridinyl]oxy]-2-pyridinyl]-2-methyl-[1]benzofuro[2,3-b]pyridine is sourced from PubChem (CID 140742001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).