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Molecule
6-Methyl-2-(4-Methylphenyl)Imidazo[1,2-A]Pyridine
CAS: 88965-00-8 · C15H14N2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 88965-00-8
- Molecular Formula
- C15H14N2
- Molecular Mass
- 222.29 g/mol
Identifiers
CAS Registry Number
88965-00-8
SMILES
Cc1ccc(-c2cn3cc(C)ccc3n2)cc1
InChI Key
AWEWSJJCANQFRB-UHFFFAOYSA-N
InChI
InChI=1S/C15H14N2/c1-11-3-6-13(7-4-11)14-10-17-9-12(2)5-8-15(17)16-14/h3-10H,1-2H3
Names and Synonyms
- 6-Methyl-2-(4-Methylphenyl)Imidazo[1,2-A]Pyridine Synonym
- Imidazo[1,2-a]pyridine, 6-methyl-2-(4-methylphenyl)- Synonym
- 6-Methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridine Synonym
- 2-(4-Methylphenyl)-6-methylimidazo[1,2-a]pyridine Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 222.29 g/mol | CAS Common Chemistry |
| 222.29100000000003 g/mol | RDKit | |
| 222.291 g/mol | RDKit | |
| 223.299 g/mol | chempirical lib | |
| Canonical SMILES | N=1C(=CN2C=C(C=CC12)C)C=3C=CC(=CC3)C | CAS Common Chemistry |
| InChI | InChI=1S/C15H14N2/c1-11-3-6-13(7-4-11)14-10-17-9-12(2)5-8-15(17)16-14/h3-10H,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=AWEWSJJCANQFRB-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 6-Methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridine | CAS Common Chemistry |
| Heavy Atom Count | 17 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| 1 | RDKit | |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 3 | RDKit |
| Topological Polar Surface Area | 17.3 Ų | RDKit |
| LogP | 3.618140000000002 | RDKit |
| 3.6181 | RDKit | |
| Molar Refractivity | 70.10200000000003 cm³/mol | RDKit |
| Ring Count | 3 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.1333 | RDKit |
| 0.13 | chempirical lib | |
| Exact Mass | 222.115698448 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
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20
0 ppm
| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
External Resources
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MW = 222.29 g/mol. Edit any field — others recompute live.
