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

C30H27N3O — CID 129021034

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

6-[1-[2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-[1]benzofuro[2,3-b]pyridine (PubChem CID 129021034) has the molecular formula C30H27N3O and a molecular weight of 445.57 g/mol. Its IUPAC name is 6-[1-[2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-[1]benzofuro[2,3-b]pyridine.

Molecular Properties

• Compound Name: 6-[1-[2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-[1]benzofuro[2,3-b]pyridine
• PubChem CID: 129021034
• Molecular Formula: C30H27N3O
• Molecular Weight: 445.57 g/mol
• Exact Mass: 445.22
• IUPAC Name: 6-[1-[2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-[1]benzofuro[2,3-b]pyridine
• SMILES: CC(C)c1cccc(C(C)C)c1-n1c(-c2ccc3oc4ncccc4c3c2)nc2ccccc21
• InChI: InChI=1S/C30H27N3O/c1-18(2)21-9-7-10-22(19(3)4)28(21)33-26-13-6-5-12-25(26)32-29(33)20-14-15-27-24(17-20)23-11-8-16-31-30(23)34-27/h5-19H,1-4H3
• InChIKey: VFKORBBYPDEWHW-UHFFFAOYSA-N
• XLogP: 8.23
• TPSA: 43.85 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	445.57
LogP ≤ 5	8.23
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of 6-[1-[2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-[1]benzofuro[2,3-b]pyridine (CID 129021034) is 6-[1-[2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-[1]benzofuro[2,3-b]pyridine.

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

The canonical SMILES for 6-[1-[2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-[1]benzofuro[2,3-b]pyridine is CC(C)c1cccc(C(C)C)c1-n1c(-c2ccc3oc4ncccc4c3c2)nc2ccccc21.

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

The InChIKey is VFKORBBYPDEWHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H27N3O/c1-18(2)21-9-7-10-22(19(3)4)28(21)33-26-13-6-5-12-25(26)32-29(33)20-14-15-27-24(17-20)23-11-8-16-31-30(23)34-27/h5-19H,1-4H3.

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

6-[1-[2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-[1]benzofuro[2,3-b]pyridine has a molecular weight of 445.57 g/mol, XLogP of 8.23, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[1-[2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-[1]benzofuro[2,3-b]pyridine is sourced from PubChem (CID 129021034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).