3-[2-(2,5-dimethylphenyl)ethynyl]imidazo[1,2-a]pyridine

C17H14N2 — CID 155453754

IUPAC3-[2-(2,5-dimethylphenyl)ethynyl]imidazo[1,2-a]pyridine
SMILESCc1ccc(C)c(C#Cc2cnc3ccccn23)c1
InChIInChI=1S/C17H14N2/c1-13-6-7-14(2)15(11-13)8-9-16-12-18-17-5-3-4-10-19(16)17/h3-7,10-12H,1-2H3
InChIKeyMLNZTJYYIFDDNF-UHFFFAOYSA-N
MW246.31 g/mol
LogP3.35
Rot. Bonds

About 3-[2-(2,5-dimethylphenyl)ethynyl]imidazo[1,2-a]pyridine

3-[2-(2,5-dimethylphenyl)ethynyl]imidazo[1,2-a]pyridine (PubChem CID 155453754) has the molecular formula C17H14N2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 3-[2-(2,5-dimethylphenyl)ethynyl]imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name3-[2-(2,5-dimethylphenyl)ethynyl]imidazo[1,2-a]pyridine
PubChem CID155453754
Molecular FormulaC17H14N2
Molecular Weight246.31 g/mol
Exact Mass246.12
IUPAC Name3-[2-(2,5-dimethylphenyl)ethynyl]imidazo[1,2-a]pyridine
SMILESCc1ccc(C)c(C#Cc2cnc3ccccn23)c1
InChIInChI=1S/C17H14N2/c1-13-6-7-14(2)15(11-13)8-9-16-12-18-17-5-3-4-10-19(16)17/h3-7,10-12H,1-2H3
InChIKeyMLNZTJYYIFDDNF-UHFFFAOYSA-N
XLogP3.35
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(2,5-dimethylphenyl)ethynyl]imidazo[1,2-a]pyridine?
The IUPAC name of 3-[2-(2,5-dimethylphenyl)ethynyl]imidazo[1,2-a]pyridine (CID 155453754) is 3-[2-(2,5-dimethylphenyl)ethynyl]imidazo[1,2-a]pyridine.
What is the SMILES notation for 3-[2-(2,5-dimethylphenyl)ethynyl]imidazo[1,2-a]pyridine?
The canonical SMILES for 3-[2-(2,5-dimethylphenyl)ethynyl]imidazo[1,2-a]pyridine is Cc1ccc(C)c(C#Cc2cnc3ccccn23)c1.
What is the InChIKey of 3-[2-(2,5-dimethylphenyl)ethynyl]imidazo[1,2-a]pyridine?
The InChIKey is MLNZTJYYIFDDNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2/c1-13-6-7-14(2)15(11-13)8-9-16-12-18-17-5-3-4-10-19(16)17/h3-7,10-12H,1-2H3.
What are the key properties of 3-[2-(2,5-dimethylphenyl)ethynyl]imidazo[1,2-a]pyridine?
3-[2-(2,5-dimethylphenyl)ethynyl]imidazo[1,2-a]pyridine has a molecular weight of 246.31 g/mol, XLogP of 3.35, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2,5-dimethylphenyl)ethynyl]imidazo[1,2-a]pyridine is sourced from PubChem (CID 155453754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).