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2-(O-Chlorophenyl)-4,5-Diphenylimidazole
CAS: 1707-67-1 | C21H15ClN2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
1707-67-1
Molecular Formula:
C21H15ClN2
Molecular Mass:
330.82 g/mol
Names and Synonyms:
2-(O-Chlorophenyl)-4,5-Diphenylimidazole
1H-Imidazole, 2-(2-chlorophenyl)-4,5-diphenyl-
Imidazole, 2-(o-chlorophenyl)-4,5-diphenyl-
2-(2-Chlorophenyl)-4,5-diphenyl-1H-imidazole
2-(2-Chlorophenyl)-4,5-diphenylimidazole
2-(o-Chlorophenyl)-4,5-diphenylimidazole
Identifiers:
SMILES:
Clc1ccccc1-c1nc(-c2ccccc2)c(-c2ccccc2)[nH]1
InChI:
InChI=1S/C21H15ClN2/c22-18-14-8-7-13-17(18)21-23-19(15-9-3-1-4-10-15)20(24-21)16-11-5-2-6-12-16/h1-14H,(H,23,24)
Key Properties
Melting Point
188 °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 | 330.82 g/mol | CAS Common Chemistry |
| 330.818 g/mol | RDKit | |
| 330.0923761600001 g/mol | RDKit | |
| Canonical SMILES | ClC=1C=CC=CC1C2=NC(C=3C=CC=CC3)=C(N2)C=4C=CC=CC4 | CAS Common Chemistry |
| InChI | InChI=1S/C21H15ClN2/c22-18-14-8-7-13-17(18)21-23-19(15-9-3-1-4-10-15)20(24-21)16-11-5-2-6-12-16/h1-14H,(H,23,24) | CAS Common Chemistry |
| InChI Key | InChIKey=NSWNXQGJAPQOID-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 188 °C | CAS Common Chemistry |
| Name | 2-(o-Chlorophenyl)-4,5-diphenylimidazole | CAS Common Chemistry |
| Heavy Atom Count | 24 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 4 | RDKit |
| Topological Polar Surface Area | 28.68 Ų | RDKit |
| LogP | 6.064100000000004 | RDKit |
| Molar Refractivity | 99.90570000000001 | RDKit |
