1-[2-Chloro-4-(4-chlorophenyl)butyl]-1H-imidazole

C₁₃H₁₄Cl₂N₂CAS 67085-12-5269.17 g/mol

Open in Covalent MOL file

Alkyl halide Aryl halide

Properties

Molecular formula: C₁₃H₁₄Cl₂N₂
Molar mass: 269.17 g/mol
Exact mass: 268.0534 Da
logP: 3.78Crippen estimate
Polar surface area: 17.8 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 5

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H312 Harmful in contact with skin100% of notifiers
H332 Harmful if inhaled100% of notifiers

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, P501

Identifiers

CAS number

67085-12-5

SMILES

Clc1ccc(CCC(Cl)Cn2ccnc2)cc1

InChIKey

PJMMKIMXEKRAAT-UHFFFAOYSA-N

InChI

InChI=1S/C13H14Cl2N2/c14-12-4-1-11(2-5-12)3-6-13(15)9-17-8-7-16-10-17/h1-2,4-5,7-8,10,13H,3,6,9H2

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Names and synonyms

1 names

1H-Imidazole, 1-[2-chloro-4-(4-chlorophenyl)butyl]-

Work with 1-[2-Chloro-4-(4-chlorophenyl)butyl]-1H-imidazole

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

4-(4-Chlorophenyl)-1-(1H-imidazol-1-yl)-2-butanol67085-11-469 % similar Butoconazole64872-76-059 % similar Econazole27220-47-949 % similar Butoconazole nitrate64872-77-148 % similar (+-)-Alpha-(2,4-Dichlorophenyl)-1H-imidazole-1-ethanol24155-42-847 % similar 1,4-Bis(imidazole-L-ylmethyl)benzene56643-83-544 % similar Sulconazole nitrate61318-91-042 % similar Miconazole22916-47-842 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2,7-Diaminofluorene dihydrochloride13548-69-1

Elsewhere

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