2-[2-[2-(4-methylphenyl)ethynyl]phenyl]imidazo[1,2-a]pyridine

C22H16N2 — CID 177481874

IUPAC2-[2-[2-(4-methylphenyl)ethynyl]phenyl]imidazo[1,2-a]pyridine
SMILESCc1ccc(C#Cc2ccccc2-c2cn3ccccc3n2)cc1
InChIInChI=1S/C22H16N2/c1-17-9-11-18(12-10-17)13-14-19-6-2-3-7-20(19)21-16-24-15-5-4-8-22(24)23-21/h2-12,15-16H,1H3
InChIKeyDGLXXUDEZRFAAO-UHFFFAOYSA-N
MW308.38 g/mol
LogP4.71
Rot. Bonds1

About 2-[2-[2-(4-methylphenyl)ethynyl]phenyl]imidazo[1,2-a]pyridine

2-[2-[2-(4-methylphenyl)ethynyl]phenyl]imidazo[1,2-a]pyridine (PubChem CID 177481874) has the molecular formula C22H16N2 and a molecular weight of 308.38 g/mol. Its IUPAC name is 2-[2-[2-(4-methylphenyl)ethynyl]phenyl]imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name2-[2-[2-(4-methylphenyl)ethynyl]phenyl]imidazo[1,2-a]pyridine
PubChem CID177481874
Molecular FormulaC22H16N2
Molecular Weight308.38 g/mol
Exact Mass308.13
IUPAC Name2-[2-[2-(4-methylphenyl)ethynyl]phenyl]imidazo[1,2-a]pyridine
SMILESCc1ccc(C#Cc2ccccc2-c2cn3ccccc3n2)cc1
InChIInChI=1S/C22H16N2/c1-17-9-11-18(12-10-17)13-14-19-6-2-3-7-20(19)21-16-24-15-5-4-8-22(24)23-21/h2-12,15-16H,1H3
InChIKeyDGLXXUDEZRFAAO-UHFFFAOYSA-N
XLogP4.71
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

2-[4-(4-methylphenyl)phenyl]imidazo[1,2-a]pyridine
CID 58880683
2-(2,5-dimethylphenyl)imidazo[1,2-a]pyridine
CID 4715291
2-(2-fluoro-4-methylphenyl)imidazo[1,2-a]pyridine
CID 90326419
2-(2-phenylethynyl)imidazo[1,2-a]pyridine
CID 161185630
1-methyl-4-[2-[2-[2-[2-[2-(4-methylphenyl)ethynyl]phenyl]ethynyl]phenyl]ethynyl]benzene
CID 25058797
4-(4-imidazo[1,2-a]pyridin-2-ylphenyl)benzonitrile
CID 141122443
6-methyl-2-(2-methylphenyl)imidazo[1,2-a]pyridine
CID 115403755
(E)-N-(2-imidazo[1,2-a]pyridin-2-ylphenyl)-2-(4-methylphenyl)ethenesulfonamide
CID 121148841
2-(3,4-dimethylphenyl)imidazo[1,2-a]pyridine
CID 735320
2-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridine
CID 22380806
2-(3,4-dimethylphenyl)imidazo[1,2-a]pyridine;hydrobromide
CID 19234119
2-(3,4-dimethylphenyl)imidazo[1,2-a]pyridine;hydroiodide
CID 45134937

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(4-methylphenyl)ethynyl]phenyl]imidazo[1,2-a]pyridine?
The IUPAC name of 2-[2-[2-(4-methylphenyl)ethynyl]phenyl]imidazo[1,2-a]pyridine (CID 177481874) is 2-[2-[2-(4-methylphenyl)ethynyl]phenyl]imidazo[1,2-a]pyridine.
What is the SMILES notation for 2-[2-[2-(4-methylphenyl)ethynyl]phenyl]imidazo[1,2-a]pyridine?
The canonical SMILES for 2-[2-[2-(4-methylphenyl)ethynyl]phenyl]imidazo[1,2-a]pyridine is Cc1ccc(C#Cc2ccccc2-c2cn3ccccc3n2)cc1.
What is the InChIKey of 2-[2-[2-(4-methylphenyl)ethynyl]phenyl]imidazo[1,2-a]pyridine?
The InChIKey is DGLXXUDEZRFAAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N2/c1-17-9-11-18(12-10-17)13-14-19-6-2-3-7-20(19)21-16-24-15-5-4-8-22(24)23-21/h2-12,15-16H,1H3.
What are the key properties of 2-[2-[2-(4-methylphenyl)ethynyl]phenyl]imidazo[1,2-a]pyridine?
2-[2-[2-(4-methylphenyl)ethynyl]phenyl]imidazo[1,2-a]pyridine has a molecular weight of 308.38 g/mol, XLogP of 4.71, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(4-methylphenyl)ethynyl]phenyl]imidazo[1,2-a]pyridine is sourced from PubChem (CID 177481874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).