3-[6-[3-(2-fluoro-2-hydroxyethyl)phenyl]imidazo[1,2-a]pyridin-2-yl]benzonitrile

C22H16FN3O — CID 70869874

IUPAC3-[6-[3-(2-fluoro-2-hydroxyethyl)phenyl]imidazo[1,2-a]pyridin-2-yl]benzonitrile
SMILESN#Cc1cccc(-c2cn3cc(-c4cccc(CC(O)F)c4)ccc3n2)c1
InChIInChI=1S/C22H16FN3O/c23-21(27)11-15-3-1-5-17(9-15)19-7-8-22-25-20(14-26(22)13-19)18-6-2-4-16(10-18)12-24/h1-10,13-14,21,27H,11H2
InChIKeyNHWRGZFTWJURLN-UHFFFAOYSA-N
MW357.39 g/mol
LogP4.37
Rot. Bonds4

About 3-[6-[3-(2-fluoro-2-hydroxyethyl)phenyl]imidazo[1,2-a]pyridin-2-yl]benzonitrile

3-[6-[3-(2-fluoro-2-hydroxyethyl)phenyl]imidazo[1,2-a]pyridin-2-yl]benzonitrile (PubChem CID 70869874) has the molecular formula C22H16FN3O and a molecular weight of 357.39 g/mol. Its IUPAC name is 3-[6-[3-(2-fluoro-2-hydroxyethyl)phenyl]imidazo[1,2-a]pyridin-2-yl]benzonitrile.

Molecular Properties

Compound Name3-[6-[3-(2-fluoro-2-hydroxyethyl)phenyl]imidazo[1,2-a]pyridin-2-yl]benzonitrile
PubChem CID70869874
Molecular FormulaC22H16FN3O
Molecular Weight357.39 g/mol
Exact Mass357.13
IUPAC Name3-[6-[3-(2-fluoro-2-hydroxyethyl)phenyl]imidazo[1,2-a]pyridin-2-yl]benzonitrile
SMILESN#Cc1cccc(-c2cn3cc(-c4cccc(CC(O)F)c4)ccc3n2)c1
InChIInChI=1S/C22H16FN3O/c23-21(27)11-15-3-1-5-17(9-15)19-7-8-22-25-20(14-26(22)13-19)18-6-2-4-16(10-18)12-24/h1-10,13-14,21,27H,11H2
InChIKeyNHWRGZFTWJURLN-UHFFFAOYSA-N
XLogP4.37
TPSA61.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.39
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[6-[3-(2-fluoro-2-hydroxyethyl)phenyl]imidazo[1,2-a]pyridin-2-yl]benzonitrile?
The IUPAC name of 3-[6-[3-(2-fluoro-2-hydroxyethyl)phenyl]imidazo[1,2-a]pyridin-2-yl]benzonitrile (CID 70869874) is 3-[6-[3-(2-fluoro-2-hydroxyethyl)phenyl]imidazo[1,2-a]pyridin-2-yl]benzonitrile.
What is the SMILES notation for 3-[6-[3-(2-fluoro-2-hydroxyethyl)phenyl]imidazo[1,2-a]pyridin-2-yl]benzonitrile?
The canonical SMILES for 3-[6-[3-(2-fluoro-2-hydroxyethyl)phenyl]imidazo[1,2-a]pyridin-2-yl]benzonitrile is N#Cc1cccc(-c2cn3cc(-c4cccc(CC(O)F)c4)ccc3n2)c1.
What is the InChIKey of 3-[6-[3-(2-fluoro-2-hydroxyethyl)phenyl]imidazo[1,2-a]pyridin-2-yl]benzonitrile?
The InChIKey is NHWRGZFTWJURLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16FN3O/c23-21(27)11-15-3-1-5-17(9-15)19-7-8-22-25-20(14-26(22)13-19)18-6-2-4-16(10-18)12-24/h1-10,13-14,21,27H,11H2.
What are the key properties of 3-[6-[3-(2-fluoro-2-hydroxyethyl)phenyl]imidazo[1,2-a]pyridin-2-yl]benzonitrile?
3-[6-[3-(2-fluoro-2-hydroxyethyl)phenyl]imidazo[1,2-a]pyridin-2-yl]benzonitrile has a molecular weight of 357.39 g/mol, XLogP of 4.37, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-[3-(2-fluoro-2-hydroxyethyl)phenyl]imidazo[1,2-a]pyridin-2-yl]benzonitrile is sourced from PubChem (CID 70869874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).