3-[3-(1-benzofuran-2-yl)phenyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridine

C27H17FN2O — CID 71699623

IUPAC3-[3-(1-benzofuran-2-yl)phenyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridine
SMILESFc1ccc(-c2nc3ccccn3c2-c2cccc(-c3cc4ccccc4o3)c2)cc1
InChIInChI=1S/C27H17FN2O/c28-22-13-11-18(12-14-22)26-27(30-15-4-3-10-25(30)29-26)21-8-5-7-19(16-21)24-17-20-6-1-2-9-23(20)31-24/h1-17H
InChIKeyMIWWXGQZYZVVSD-UHFFFAOYSA-N
MW404.44 g/mol
LogP7.22
Rot. Bonds3

About 3-[3-(1-benzofuran-2-yl)phenyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridine

3-[3-(1-benzofuran-2-yl)phenyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridine (PubChem CID 71699623) has the molecular formula C27H17FN2O and a molecular weight of 404.44 g/mol. Its IUPAC name is 3-[3-(1-benzofuran-2-yl)phenyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name3-[3-(1-benzofuran-2-yl)phenyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridine
PubChem CID71699623
Molecular FormulaC27H17FN2O
Molecular Weight404.44 g/mol
Exact Mass404.13
IUPAC Name3-[3-(1-benzofuran-2-yl)phenyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridine
SMILESFc1ccc(-c2nc3ccccn3c2-c2cccc(-c3cc4ccccc4o3)c2)cc1
InChIInChI=1S/C27H17FN2O/c28-22-13-11-18(12-14-22)26-27(30-15-4-3-10-25(30)29-26)21-8-5-7-19(16-21)24-17-20-6-1-2-9-23(20)31-24/h1-17H
InChIKeyMIWWXGQZYZVVSD-UHFFFAOYSA-N
XLogP7.22
TPSA30.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.44
LogP ≤ 57.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(1-benzofuran-2-yl)phenyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridine?
The IUPAC name of 3-[3-(1-benzofuran-2-yl)phenyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridine (CID 71699623) is 3-[3-(1-benzofuran-2-yl)phenyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridine.
What is the SMILES notation for 3-[3-(1-benzofuran-2-yl)phenyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridine?
The canonical SMILES for 3-[3-(1-benzofuran-2-yl)phenyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridine is Fc1ccc(-c2nc3ccccn3c2-c2cccc(-c3cc4ccccc4o3)c2)cc1.
What is the InChIKey of 3-[3-(1-benzofuran-2-yl)phenyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridine?
The InChIKey is MIWWXGQZYZVVSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H17FN2O/c28-22-13-11-18(12-14-22)26-27(30-15-4-3-10-25(30)29-26)21-8-5-7-19(16-21)24-17-20-6-1-2-9-23(20)31-24/h1-17H.
What are the key properties of 3-[3-(1-benzofuran-2-yl)phenyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridine?
3-[3-(1-benzofuran-2-yl)phenyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridine has a molecular weight of 404.44 g/mol, XLogP of 7.22, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(1-benzofuran-2-yl)phenyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridine is sourced from PubChem (CID 71699623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).