4-[6-bromo-8-methyl-3-[(4-methylphenyl)methyl]imidazo[1,2-a]pyridin-2-yl]benzonitrile

C23H18BrN3 — CID 51359797

IUPAC4-[6-bromo-8-methyl-3-[(4-methylphenyl)methyl]imidazo[1,2-a]pyridin-2-yl]benzonitrile
SMILESCc1ccc(Cc2c(-c3ccc(C#N)cc3)nc3c(C)cc(Br)cn23)cc1
InChIInChI=1S/C23H18BrN3/c1-15-3-5-17(6-4-15)12-21-22(19-9-7-18(13-25)8-10-19)26-23-16(2)11-20(24)14-27(21)23/h3-11,14H,12H2,1-2H3
InChIKeyXHHLFHHRICADPV-UHFFFAOYSA-N
MW416.32 g/mol
LogP5.84
Rot. Bonds3

About 4-[6-bromo-8-methyl-3-[(4-methylphenyl)methyl]imidazo[1,2-a]pyridin-2-yl]benzonitrile

4-[6-bromo-8-methyl-3-[(4-methylphenyl)methyl]imidazo[1,2-a]pyridin-2-yl]benzonitrile (PubChem CID 51359797) has the molecular formula C23H18BrN3 and a molecular weight of 416.32 g/mol. Its IUPAC name is 4-[6-bromo-8-methyl-3-[(4-methylphenyl)methyl]imidazo[1,2-a]pyridin-2-yl]benzonitrile.

Molecular Properties

Compound Name4-[6-bromo-8-methyl-3-[(4-methylphenyl)methyl]imidazo[1,2-a]pyridin-2-yl]benzonitrile
PubChem CID51359797
Molecular FormulaC23H18BrN3
Molecular Weight416.32 g/mol
Exact Mass415.07
IUPAC Name4-[6-bromo-8-methyl-3-[(4-methylphenyl)methyl]imidazo[1,2-a]pyridin-2-yl]benzonitrile
SMILESCc1ccc(Cc2c(-c3ccc(C#N)cc3)nc3c(C)cc(Br)cn23)cc1
InChIInChI=1S/C23H18BrN3/c1-15-3-5-17(6-4-15)12-21-22(19-9-7-18(13-25)8-10-19)26-23-16(2)11-20(24)14-27(21)23/h3-11,14H,12H2,1-2H3
InChIKeyXHHLFHHRICADPV-UHFFFAOYSA-N
XLogP5.84
TPSA41.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.32
LogP ≤ 55.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-[6-bromo-8-methyl-3-[(4-methylphenyl)methyl]imidazo[1,2-a]pyridin-2-yl]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 4-[6-bromo-8-methyl-3-[(4-methylphenyl)methyl]imidazo[1,2-a]pyridin-2-yl]benzonitrile?
The IUPAC name of 4-[6-bromo-8-methyl-3-[(4-methylphenyl)methyl]imidazo[1,2-a]pyridin-2-yl]benzonitrile (CID 51359797) is 4-[6-bromo-8-methyl-3-[(4-methylphenyl)methyl]imidazo[1,2-a]pyridin-2-yl]benzonitrile.
What is the SMILES notation for 4-[6-bromo-8-methyl-3-[(4-methylphenyl)methyl]imidazo[1,2-a]pyridin-2-yl]benzonitrile?
The canonical SMILES for 4-[6-bromo-8-methyl-3-[(4-methylphenyl)methyl]imidazo[1,2-a]pyridin-2-yl]benzonitrile is Cc1ccc(Cc2c(-c3ccc(C#N)cc3)nc3c(C)cc(Br)cn23)cc1.
What is the InChIKey of 4-[6-bromo-8-methyl-3-[(4-methylphenyl)methyl]imidazo[1,2-a]pyridin-2-yl]benzonitrile?
The InChIKey is XHHLFHHRICADPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18BrN3/c1-15-3-5-17(6-4-15)12-21-22(19-9-7-18(13-25)8-10-19)26-23-16(2)11-20(24)14-27(21)23/h3-11,14H,12H2,1-2H3.
What are the key properties of 4-[6-bromo-8-methyl-3-[(4-methylphenyl)methyl]imidazo[1,2-a]pyridin-2-yl]benzonitrile?
4-[6-bromo-8-methyl-3-[(4-methylphenyl)methyl]imidazo[1,2-a]pyridin-2-yl]benzonitrile has a molecular weight of 416.32 g/mol, XLogP of 5.84, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-bromo-8-methyl-3-[(4-methylphenyl)methyl]imidazo[1,2-a]pyridin-2-yl]benzonitrile is sourced from PubChem (CID 51359797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).