5-methoxy-7-phenyl-3-(2-phenylethynyl)imidazo[1,2-a]pyridine

C22H16N2O — CID 58404921

IUPAC5-methoxy-7-phenyl-3-(2-phenylethynyl)imidazo[1,2-a]pyridine
SMILESCOc1cc(-c2ccccc2)cc2ncc(C#Cc3ccccc3)n12
InChIInChI=1S/C22H16N2O/c1-25-22-15-19(18-10-6-3-7-11-18)14-21-23-16-20(24(21)22)13-12-17-8-4-2-5-9-17/h2-11,14-16H,1H3
InChIKeyUVDCZRDREMUYFD-UHFFFAOYSA-N
MW324.38 g/mol
LogP4.41
Rot. Bonds2

About 5-methoxy-7-phenyl-3-(2-phenylethynyl)imidazo[1,2-a]pyridine

5-methoxy-7-phenyl-3-(2-phenylethynyl)imidazo[1,2-a]pyridine (PubChem CID 58404921) has the molecular formula C22H16N2O and a molecular weight of 324.38 g/mol. Its IUPAC name is 5-methoxy-7-phenyl-3-(2-phenylethynyl)imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name5-methoxy-7-phenyl-3-(2-phenylethynyl)imidazo[1,2-a]pyridine
PubChem CID58404921
Molecular FormulaC22H16N2O
Molecular Weight324.38 g/mol
Exact Mass324.13
IUPAC Name5-methoxy-7-phenyl-3-(2-phenylethynyl)imidazo[1,2-a]pyridine
SMILESCOc1cc(-c2ccccc2)cc2ncc(C#Cc3ccccc3)n12
InChIInChI=1S/C22H16N2O/c1-25-22-15-19(18-10-6-3-7-11-18)14-21-23-16-20(24(21)22)13-12-17-8-4-2-5-9-17/h2-11,14-16H,1H3
InChIKeyUVDCZRDREMUYFD-UHFFFAOYSA-N
XLogP4.41
TPSA26.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[2-(2,4-difluorophenyl)ethynyl]-5-methoxy-7-phenylimidazo[1,2-a]pyridine
CID 58404920
5-methoxy-7-phenyl-3-thiophen-3-ylimidazo[1,2-a]pyridine
CID 58404744
4-(5-methoxy-7-phenylimidazo[1,2-a]pyridin-3-yl)-1-methylidenepyrrol-1-ium-2-carboxamide
CID 123205135
1-methoxy-4-phenyl-2-(2-phenylethynyl)benzene
CID 68910717
1,3,5-tris[4-(2-phenylethynyl)phenyl]benzene
CID 15640933
5-[2-(4-methoxyphenyl)ethynyl]-1,2-dimethylimidazole
CID 122368627
2-(2-phenylethynyl)azulene
CID 139039957
5-phenyl-2-(2-phenylethynyl)pyridine
CID 10945010
2-methoxy-5-(methoxymethoxy)-4-(2-phenylethynyl)pyridine
CID 12027788
1,4-bis[4-(2-phenylethynyl)phenyl]benzene
CID 3111099
2-methoxy-5-[2-[3-[2-(4-pyridin-2-ylphenyl)ethynyl]phenyl]ethynyl]pyridine
CID 171438558
2-((1,2-13C2)cyclohexatrienyl)ethynyl(1,2-13C2)cyclohexatriene
CID 150731469

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-7-phenyl-3-(2-phenylethynyl)imidazo[1,2-a]pyridine?
The IUPAC name of 5-methoxy-7-phenyl-3-(2-phenylethynyl)imidazo[1,2-a]pyridine (CID 58404921) is 5-methoxy-7-phenyl-3-(2-phenylethynyl)imidazo[1,2-a]pyridine.
What is the SMILES notation for 5-methoxy-7-phenyl-3-(2-phenylethynyl)imidazo[1,2-a]pyridine?
The canonical SMILES for 5-methoxy-7-phenyl-3-(2-phenylethynyl)imidazo[1,2-a]pyridine is COc1cc(-c2ccccc2)cc2ncc(C#Cc3ccccc3)n12.
What is the InChIKey of 5-methoxy-7-phenyl-3-(2-phenylethynyl)imidazo[1,2-a]pyridine?
The InChIKey is UVDCZRDREMUYFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N2O/c1-25-22-15-19(18-10-6-3-7-11-18)14-21-23-16-20(24(21)22)13-12-17-8-4-2-5-9-17/h2-11,14-16H,1H3.
What are the key properties of 5-methoxy-7-phenyl-3-(2-phenylethynyl)imidazo[1,2-a]pyridine?
5-methoxy-7-phenyl-3-(2-phenylethynyl)imidazo[1,2-a]pyridine has a molecular weight of 324.38 g/mol, XLogP of 4.41, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-7-phenyl-3-(2-phenylethynyl)imidazo[1,2-a]pyridine is sourced from PubChem (CID 58404921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).