2-(2-phenyl-1-benzofuran-7-yl)-3H-imidazo[4,5-c]pyridine

C20H13N3O — CID 44534779

IUPAC2-(2-phenyl-1-benzofuran-7-yl)-3H-imidazo[4,5-c]pyridine
SMILESc1ccc(-c2cc3cccc(-c4nc5ccncc5[nH]4)c3o2)cc1
InChIInChI=1S/C20H13N3O/c1-2-5-13(6-3-1)18-11-14-7-4-8-15(19(14)24-18)20-22-16-9-10-21-12-17(16)23-20/h1-12H,(H,22,23)
InChIKeyKMLJLOGFPYRKEA-UHFFFAOYSA-N
MW311.34 g/mol
LogP5.04
Rot. Bonds2

About 2-(2-phenyl-1-benzofuran-7-yl)-3H-imidazo[4,5-c]pyridine

2-(2-phenyl-1-benzofuran-7-yl)-3H-imidazo[4,5-c]pyridine (PubChem CID 44534779) has the molecular formula C20H13N3O and a molecular weight of 311.34 g/mol. Its IUPAC name is 2-(2-phenyl-1-benzofuran-7-yl)-3H-imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name2-(2-phenyl-1-benzofuran-7-yl)-3H-imidazo[4,5-c]pyridine
PubChem CID44534779
Molecular FormulaC20H13N3O
Molecular Weight311.34 g/mol
Exact Mass311.11
IUPAC Name2-(2-phenyl-1-benzofuran-7-yl)-3H-imidazo[4,5-c]pyridine
SMILESc1ccc(-c2cc3cccc(-c4nc5ccncc5[nH]4)c3o2)cc1
InChIInChI=1S/C20H13N3O/c1-2-5-13(6-3-1)18-11-14-7-4-8-15(19(14)24-18)20-22-16-9-10-21-12-17(16)23-20/h1-12H,(H,22,23)
InChIKeyKMLJLOGFPYRKEA-UHFFFAOYSA-N
XLogP5.04
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500311.34
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-phenyl-1-benzofuran-7-yl)-3H-imidazo[4,5-c]pyridine?
The IUPAC name of 2-(2-phenyl-1-benzofuran-7-yl)-3H-imidazo[4,5-c]pyridine (CID 44534779) is 2-(2-phenyl-1-benzofuran-7-yl)-3H-imidazo[4,5-c]pyridine.
What is the SMILES notation for 2-(2-phenyl-1-benzofuran-7-yl)-3H-imidazo[4,5-c]pyridine?
The canonical SMILES for 2-(2-phenyl-1-benzofuran-7-yl)-3H-imidazo[4,5-c]pyridine is c1ccc(-c2cc3cccc(-c4nc5ccncc5[nH]4)c3o2)cc1.
What is the InChIKey of 2-(2-phenyl-1-benzofuran-7-yl)-3H-imidazo[4,5-c]pyridine?
The InChIKey is KMLJLOGFPYRKEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13N3O/c1-2-5-13(6-3-1)18-11-14-7-4-8-15(19(14)24-18)20-22-16-9-10-21-12-17(16)23-20/h1-12H,(H,22,23).
What are the key properties of 2-(2-phenyl-1-benzofuran-7-yl)-3H-imidazo[4,5-c]pyridine?
2-(2-phenyl-1-benzofuran-7-yl)-3H-imidazo[4,5-c]pyridine has a molecular weight of 311.34 g/mol, XLogP of 5.04, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phenyl-1-benzofuran-7-yl)-3H-imidazo[4,5-c]pyridine is sourced from PubChem (CID 44534779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).