Back to Search
2-(2-Methoxyphenyl)-4,5-Diphenyl-1H-Imidazole
CAS: 1965-19-1 | C22H18N2O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
1965-19-1
Molecular Formula:
C22H18N2O
Molecular Mass:
326.40 g/mol
Names and Synonyms:
2-(2-Methoxyphenyl)-4,5-Diphenyl-1H-Imidazole
1H-Imidazole, 2-(2-methoxyphenyl)-4,5-diphenyl-
Imidazole, 2-(o-methoxyphenyl)-4,5-diphenyl-
2-(2-Methoxyphenyl)-4,5-diphenyl-1H-imidazole
Identifiers:
SMILES:
COc1ccccc1-c1nc(-c2ccccc2)c(-c2ccccc2)[nH]1
InChI:
InChI=1S/C22H18N2O/c1-25-19-15-9-8-14-18(19)22-23-20(16-10-4-2-5-11-16)21(24-22)17-12-6-3-7-13-17/h2-15H,1H3,(H,23,24)
Key Properties
Melting Point
45-48 °C
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 326.40 g/mol | CAS Common Chemistry |
| 326.399 g/mol | RDKit | |
| 326.141913196 g/mol | RDKit | |
| Canonical SMILES | N1=C(NC(C=2C=CC=CC2)=C1C=3C=CC=CC3)C=4C=CC=CC4OC | CAS Common Chemistry |
| InChI | InChI=1S/C22H18N2O/c1-25-19-15-9-8-14-18(19)22-23-20(16-10-4-2-5-11-16)21(24-22)17-12-6-3-7-13-17/h2-15H,1H3,(H,23,24) | CAS Common Chemistry |
| InChI Key | InChIKey=XIOGJAPOAUEYJO-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 45-48 °C | CAS Common Chemistry |
| Name | 2-(2-Methoxyphenyl)-4,5-diphenyl-1H-imidazole | CAS Common Chemistry |
| Heavy Atom Count | 25 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 4 | RDKit |
| Topological Polar Surface Area | 37.91 Ų | RDKit |
| LogP | 5.419300000000004 | RDKit |
| Molar Refractivity | 101.44770000000001 | RDKit |
