1,5-dimethyl-8-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-[1]benzofuro[2,3-c]pyridine

C38H35N3O — CID 156669552

About 1,5-dimethyl-8-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-[1]benzofuro[2,3-c]pyridine

1,5-dimethyl-8-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-[1]benzofuro[2,3-c]pyridine (PubChem CID 156669552) has the molecular formula C38H35N3O and a molecular weight of 549.72 g/mol. Its IUPAC name is 1,5-dimethyl-8-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-[1]benzofuro[2,3-c]pyridine.

Molecular Properties

• Compound Name: 1,5-dimethyl-8-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-[1]benzofuro[2,3-c]pyridine
• PubChem CID: 156669552
• Molecular Formula: C38H35N3O
• Molecular Weight: 549.72 g/mol
• Exact Mass: 549.28
• IUPAC Name: 1,5-dimethyl-8-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-[1]benzofuro[2,3-c]pyridine
• SMILES: Cc1nccc2c1oc1c(-c3nc4ccccc4n3-c3c(C(C)C)cc(-c4ccccc4)cc3C(C)C)ccc(C)c12
• InChI: InChI=1S/C38H35N3O/c1-22(2)30-20-27(26-12-8-7-9-13-26)21-31(23(3)4)35(30)41-33-15-11-10-14-32(33)40-38(41)29-17-16-24(5)34-28-18-19-39-25(6)36(28)42-37(29)34/h7-23H,1-6H3
• InChIKey: KYOZZURWHJEFKY-UHFFFAOYSA-N
• XLogP: 10.52
• TPSA: 43.85 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	549.72
LogP ≤ 5	10.52
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 1,5-dimethyl-8-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-[1]benzofuro[2,3-c]pyridine?

The IUPAC name of 1,5-dimethyl-8-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-[1]benzofuro[2,3-c]pyridine (CID 156669552) is 1,5-dimethyl-8-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-[1]benzofuro[2,3-c]pyridine.

What is the SMILES notation for 1,5-dimethyl-8-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-[1]benzofuro[2,3-c]pyridine?

The canonical SMILES for 1,5-dimethyl-8-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-[1]benzofuro[2,3-c]pyridine is Cc1nccc2c1oc1c(-c3nc4ccccc4n3-c3c(C(C)C)cc(-c4ccccc4)cc3C(C)C)ccc(C)c12.

What is the InChIKey of 1,5-dimethyl-8-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-[1]benzofuro[2,3-c]pyridine?

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

What are the key properties of 1,5-dimethyl-8-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-[1]benzofuro[2,3-c]pyridine?

1,5-dimethyl-8-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-[1]benzofuro[2,3-c]pyridine has a molecular weight of 549.72 g/mol, XLogP of 10.52, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1,5-dimethyl-8-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-[1]benzofuro[2,3-c]pyridine is sourced from PubChem (CID 156669552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).