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Mazindol
CAS: 22232-71-9 | C16H13ClN2O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
22232-71-9
Molecular Formula:
C16H13ClN2O
Molecular Mass:
284.75 g/mol
Names and Synonyms:
Mazindol
Teronac
3H-Imidazo[2,1-a]isoindol-5-ol, 5-(4-chlorophenyl)-2,5-dihydro-
3H-Imidazo[2,1-a]isoindol-5-ol, 5-(p-chlorophenyl)-2,5-dihydro-
5-(4-Chlorophenyl)-2,5-dihydro-3H-imidazo[2,1-a]isoindol-5-ol
5-Hydroxy-5-p-chlorophenyl-2,3-dihydro-5H-imidazo[2,1-a]isoindole
Mazindol
5-(p-Chlorophenyl)-5-hydroxy-2,3-dihydro-5H-imidazo[2,1-a]isoindole
5-(p-Chlorophenyl)-2,5-dihydro-3H-imidazo[2,1-a]isoindol-5-ol
5-(4-Chlorophenyl)-2,3-dihydro-5-hydroxy-5H-imidazo[2,1-a]isoindole
SaH 42548
Sanorex
5-(p-Chlorophenyl)-2,3-dihydro-5H-imidazo[2,1-a]isoindol-5-ol
AN 448
Mazildene
Magrilon
Mazanor
Terenac
Identifiers:
SMILES:
OC1(c2ccc(Cl)cc2)c2ccccc2C2=NCCN21
InChI:
InChI=1S/C16H13ClN2O/c17-12-7-5-11(6-8-12)16(20)14-4-2-1-3-13(14)15-18-9-10-19(15)16/h1-8,20H,9-10H2
Key Properties
Melting Point
198-199 °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 | 284.75 g/mol | CAS Common Chemistry |
| 284.74600000000004 g/mol | RDKit | |
| 284.07164071600005 g/mol | RDKit | |
| Canonical SMILES | ClC1=CC=C(C=C1)C2(O)C=3C=CC=CC3C4=NCCN42 | CAS Common Chemistry |
| InChI | InChI=1S/C16H13ClN2O/c17-12-7-5-11(6-8-12)16(20)14-4-2-1-3-13(14)15-18-9-10-19(15)16/h1-8,20H,9-10H2 | CAS Common Chemistry |
| InChI Key | InChIKey=ZPXSCAKFGYXMGA-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 198-199 °C | CAS Common Chemistry |
| Name | Mazindol | CAS Common Chemistry |
| Heavy Atom Count | 20 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 35.830000000000005 Ų | RDKit |
| LogP | 2.6092000000000004 | RDKit |
| Molar Refractivity | 79.00280000000002 | RDKit |
