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(±)-Α-(2,4-Dichlorophenyl)-1H-Imidazole-1-Ethanol
CAS: 24155-42-8 | C11H10Cl2N2O
2D Structure
3D Structure
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Basic Information
CAS Registry Number:
24155-42-8
Molecular Formula:
C11H10Cl2N2O
Molecular Mass:
257.12 g/mol
Names and Synonyms:
(±)-Α-(2,4-Dichlorophenyl)-1H-Imidazole-1-Ethanol
1H-Imidazole-1-ethanol, α-(2,4-dichlorophenyl)-
Imidazole-1-ethanol, α-(2,4-dichlorophenyl)-
α-(2,4-Dichlorophenyl)-1H-imidazole-1-ethanol
1-(2,4-Dichlorophenyl)-2-(1-imidazolyl)ethanol
T 824
1-(2,4-Dichlorophenyl)-2-(1H-imidazol-1-yl)ethanol
R 14821
FI 7001
UK 11147
(±)-α-(2,4-Dichlorophenyl)-1H-imidazole-1-ethanol
1-(2,4-Dichlorophenyl)-2-(1H-imidazol-1-yl)ethan-1-ol
Identifiers:
SMILES:
OC(Cn1ccnc1)c1ccc(Cl)cc1Cl
InChI:
InChI=1S/C11H10Cl2N2O/c12-8-1-2-9(10(13)5-8)11(16)6-15-4-3-14-7-15/h1-5,7,11,16H,6H2
Key Properties
Melting Point
134 °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 | 257.12 g/mol | CAS Common Chemistry |
| 256.0170183 g/mol | RDKit | |
| Canonical SMILES | ClC1=CC=C(C(Cl)=C1)C(O)CN2C=NC=C2 | CAS Common Chemistry |
| InChI | InChI=1S/C11H10Cl2N2O/c12-8-1-2-9(10(13)5-8)11(16)6-15-4-3-14-7-15/h1-5,7,11,16H,6H2 | CAS Common Chemistry |
| InChI Key | InChIKey=UKVLTPAGJIYSGN-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 134 °C | CAS Common Chemistry |
| Name | (±)-α-(2,4-Dichlorophenyl)-1H-imidazole-1-ethanol | CAS Common Chemistry |
| Heavy Atom Count | 16 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 38.05 Ų | RDKit |
| LogP | 2.9235000000000015 | RDKit |
| Molar Refractivity | 63.64880000000003 | RDKit |
