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Molecule
(±)-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
Identifiers
CAS Registry Number
24155-42-8
SMILES
OC(Cn1ccnc1)c1ccc(Cl)cc1Cl
InChI Key
UKVLTPAGJIYSGN-UHFFFAOYSA-N
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
Names and Synonyms
- (±)-Α-(2,4-Dichlorophenyl)-1H-Imidazole-1-Ethanol Synonym
- 1H-Imidazole-1-ethanol, α-(2,4-dichlorophenyl)- Synonym
- Imidazole-1-ethanol, α-(2,4-dichlorophenyl)- Synonym
- α-(2,4-Dichlorophenyl)-1H-imidazole-1-ethanol Synonym
- 1-(2,4-Dichlorophenyl)-2-(1-imidazolyl)ethanol Synonym
- T 824 Synonym
- 1-(2,4-Dichlorophenyl)-2-(1H-imidazol-1-yl)ethanol Synonym
- R 14821 Synonym
- FI 7001 Synonym
- UK 11147 Synonym
- (±)-α-(2,4-Dichlorophenyl)-1H-imidazole-1-ethanol Synonym
- 1-(2,4-Dichlorophenyl)-2-(1H-imidazol-1-yl)ethan-1-ol Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 257.12 g/mol | CAS Common Chemistry |
| 258.122 g/mol | chempirical lib | |
| 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 |
| 2 | 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 |
| 2.9235 | RDKit | |
| Molar Refractivity | 63.64880000000003 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.1818 | RDKit |
| Exact Mass | 256.0170183 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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200 ppm
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| 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 = 257.12 g/mol. Edit any field — others recompute live.
