6-[4-(6-cyano-1-benzofuran-2-yl)phenyl]imidazo[1,2-a]pyridine-2-carbonitrile

C23H12N4O — CID 89445133

IUPAC6-[4-(6-cyano-1-benzofuran-2-yl)phenyl]imidazo[1,2-a]pyridine-2-carbonitrile
SMILESN#Cc1ccc2cc(-c3ccc(-c4ccc5nc(C#N)cn5c4)cc3)oc2c1
InChIInChI=1S/C23H12N4O/c24-11-15-1-2-18-10-22(28-21(18)9-15)17-5-3-16(4-6-17)19-7-8-23-26-20(12-25)14-27(23)13-19/h1-10,13-14H
InChIKeyCPDKPISHQCOXDJ-UHFFFAOYSA-N
MW360.38 g/mol
LogP5.16
Rot. Bonds2

About 6-[4-(6-cyano-1-benzofuran-2-yl)phenyl]imidazo[1,2-a]pyridine-2-carbonitrile

6-[4-(6-cyano-1-benzofuran-2-yl)phenyl]imidazo[1,2-a]pyridine-2-carbonitrile (PubChem CID 89445133) has the molecular formula C23H12N4O and a molecular weight of 360.38 g/mol. Its IUPAC name is 6-[4-(6-cyano-1-benzofuran-2-yl)phenyl]imidazo[1,2-a]pyridine-2-carbonitrile.

Molecular Properties

Compound Name6-[4-(6-cyano-1-benzofuran-2-yl)phenyl]imidazo[1,2-a]pyridine-2-carbonitrile
PubChem CID89445133
Molecular FormulaC23H12N4O
Molecular Weight360.38 g/mol
Exact Mass360.10
IUPAC Name6-[4-(6-cyano-1-benzofuran-2-yl)phenyl]imidazo[1,2-a]pyridine-2-carbonitrile
SMILESN#Cc1ccc2cc(-c3ccc(-c4ccc5nc(C#N)cn5c4)cc3)oc2c1
InChIInChI=1S/C23H12N4O/c24-11-15-1-2-18-10-22(28-21(18)9-15)17-5-3-16(4-6-17)19-7-8-23-26-20(12-25)14-27(23)13-19/h1-10,13-14H
InChIKeyCPDKPISHQCOXDJ-UHFFFAOYSA-N
XLogP5.16
TPSA78.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.38
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(6-cyano-1-benzofuran-2-yl)phenyl]imidazo[1,2-a]pyridine-2-carbonitrile?
The IUPAC name of 6-[4-(6-cyano-1-benzofuran-2-yl)phenyl]imidazo[1,2-a]pyridine-2-carbonitrile (CID 89445133) is 6-[4-(6-cyano-1-benzofuran-2-yl)phenyl]imidazo[1,2-a]pyridine-2-carbonitrile.
What is the SMILES notation for 6-[4-(6-cyano-1-benzofuran-2-yl)phenyl]imidazo[1,2-a]pyridine-2-carbonitrile?
The canonical SMILES for 6-[4-(6-cyano-1-benzofuran-2-yl)phenyl]imidazo[1,2-a]pyridine-2-carbonitrile is N#Cc1ccc2cc(-c3ccc(-c4ccc5nc(C#N)cn5c4)cc3)oc2c1.
What is the InChIKey of 6-[4-(6-cyano-1-benzofuran-2-yl)phenyl]imidazo[1,2-a]pyridine-2-carbonitrile?
The InChIKey is CPDKPISHQCOXDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H12N4O/c24-11-15-1-2-18-10-22(28-21(18)9-15)17-5-3-16(4-6-17)19-7-8-23-26-20(12-25)14-27(23)13-19/h1-10,13-14H.
What are the key properties of 6-[4-(6-cyano-1-benzofuran-2-yl)phenyl]imidazo[1,2-a]pyridine-2-carbonitrile?
6-[4-(6-cyano-1-benzofuran-2-yl)phenyl]imidazo[1,2-a]pyridine-2-carbonitrile has a molecular weight of 360.38 g/mol, XLogP of 5.16, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(6-cyano-1-benzofuran-2-yl)phenyl]imidazo[1,2-a]pyridine-2-carbonitrile is sourced from PubChem (CID 89445133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).