2-[2-fluoro-5-(7-thiophen-3-ylimidazo[1,2-a]pyrimidin-3-yl)phenyl]benzonitrile

C23H13FN4S — CID 10222374

IUPAC2-[2-fluoro-5-(7-thiophen-3-ylimidazo[1,2-a]pyrimidin-3-yl)phenyl]benzonitrile
SMILESN#Cc1ccccc1-c1cc(-c2cnc3nc(-c4ccsc4)ccn23)ccc1F
InChIInChI=1S/C23H13FN4S/c24-20-6-5-15(11-19(20)18-4-2-1-3-16(18)12-25)22-13-26-23-27-21(7-9-28(22)23)17-8-10-29-14-17/h1-11,13-14H
InChIKeyJUUUEFBKSOCRLA-UHFFFAOYSA-N
MW396.45 g/mol
LogP5.80
Rot. Bonds3

About 2-[2-fluoro-5-(7-thiophen-3-ylimidazo[1,2-a]pyrimidin-3-yl)phenyl]benzonitrile

2-[2-fluoro-5-(7-thiophen-3-ylimidazo[1,2-a]pyrimidin-3-yl)phenyl]benzonitrile (PubChem CID 10222374) has the molecular formula C23H13FN4S and a molecular weight of 396.45 g/mol. Its IUPAC name is 2-[2-fluoro-5-(7-thiophen-3-ylimidazo[1,2-a]pyrimidin-3-yl)phenyl]benzonitrile.

Molecular Properties

Compound Name2-[2-fluoro-5-(7-thiophen-3-ylimidazo[1,2-a]pyrimidin-3-yl)phenyl]benzonitrile
PubChem CID10222374
Molecular FormulaC23H13FN4S
Molecular Weight396.45 g/mol
Exact Mass396.08
IUPAC Name2-[2-fluoro-5-(7-thiophen-3-ylimidazo[1,2-a]pyrimidin-3-yl)phenyl]benzonitrile
SMILESN#Cc1ccccc1-c1cc(-c2cnc3nc(-c4ccsc4)ccn23)ccc1F
InChIInChI=1S/C23H13FN4S/c24-20-6-5-15(11-19(20)18-4-2-1-3-16(18)12-25)22-13-26-23-27-21(7-9-28(22)23)17-8-10-29-14-17/h1-11,13-14H
InChIKeyJUUUEFBKSOCRLA-UHFFFAOYSA-N
XLogP5.80
TPSA53.98 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.45
LogP ≤ 55.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[2-fluoro-5-(7-thiophen-3-ylimidazo[1,2-a]pyrimidin-3-yl)phenyl]benzonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[2-fluoro-5-(7-thiophen-3-ylimidazo[1,2-a]pyrimidin-3-yl)phenyl]benzonitrile?
The IUPAC name of 2-[2-fluoro-5-(7-thiophen-3-ylimidazo[1,2-a]pyrimidin-3-yl)phenyl]benzonitrile (CID 10222374) is 2-[2-fluoro-5-(7-thiophen-3-ylimidazo[1,2-a]pyrimidin-3-yl)phenyl]benzonitrile.
What is the SMILES notation for 2-[2-fluoro-5-(7-thiophen-3-ylimidazo[1,2-a]pyrimidin-3-yl)phenyl]benzonitrile?
The canonical SMILES for 2-[2-fluoro-5-(7-thiophen-3-ylimidazo[1,2-a]pyrimidin-3-yl)phenyl]benzonitrile is N#Cc1ccccc1-c1cc(-c2cnc3nc(-c4ccsc4)ccn23)ccc1F.
What is the InChIKey of 2-[2-fluoro-5-(7-thiophen-3-ylimidazo[1,2-a]pyrimidin-3-yl)phenyl]benzonitrile?
The InChIKey is JUUUEFBKSOCRLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H13FN4S/c24-20-6-5-15(11-19(20)18-4-2-1-3-16(18)12-25)22-13-26-23-27-21(7-9-28(22)23)17-8-10-29-14-17/h1-11,13-14H.
What are the key properties of 2-[2-fluoro-5-(7-thiophen-3-ylimidazo[1,2-a]pyrimidin-3-yl)phenyl]benzonitrile?
2-[2-fluoro-5-(7-thiophen-3-ylimidazo[1,2-a]pyrimidin-3-yl)phenyl]benzonitrile has a molecular weight of 396.45 g/mol, XLogP of 5.80, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-fluoro-5-(7-thiophen-3-ylimidazo[1,2-a]pyrimidin-3-yl)phenyl]benzonitrile is sourced from PubChem (CID 10222374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).