4-(4-Chlorophenyl)-1-(1H-imidazol-1-yl)-2-butanol

C₁₃H₁₅ClN₂OCAS 67085-11-4250.73 g/mol

Open in Covalent MOL file

Alcohol Aryl halide

Properties

Molecular formula: C₁₃H₁₅ClN₂O
Molar mass: 250.73 g/mol
Exact mass: 250.0873 Da
Melting point: 106–109 °C
logP: 2.53Crippen estimate
Polar surface area: 38.0 Å²
H-bond donors / acceptors: 1 / 2
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

67085-11-4

SMILES

OC(CCc1ccc(Cl)cc1)Cn1ccnc1

InChIKey

YAHZVMVZBIMHGM-UHFFFAOYSA-N

InChI

InChI=1S/C13H15ClN2O/c14-12-4-1-11(2-5-12)3-6-13(17)9-16-8-7-15-10-16/h1-2,4-5,7-8,10,13,17H,3,6,9H2

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

3 names

α-[2-(4-Chlorophenyl)ethyl]-1H-imidazole-1-ethanol
1H-Imidazole-1-ethanol, α-[2-(4-chlorophenyl)ethyl]-
1-[4-(4-Chlorophenyl)-2-hydroxylbutyl]imidazole

Work with 4-(4-Chlorophenyl)-1-(1H-imidazol-1-yl)-2-butanol

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

1-[2-Chloro-4-(4-chlorophenyl)butyl]-1H-imidazole67085-12-569 % similar Butoconazole64872-76-058 % similar (+-)-Alpha-(2,4-Dichlorophenyl)-1H-imidazole-1-ethanol24155-42-852 % similar Butoconazole nitrate64872-77-149 % similar Econazole27220-47-948 % similar 1,4-Bis(imidazole-L-ylmethyl)benzene56643-83-543 % similar Econazole nitrate24169-02-642 % similar Sulconazole nitrate61318-91-042 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Variamine blue3566-44-7 (p-Benzyloxyphenyl)hydrazine hydrochloride52068-30-1

Elsewhere

PubChem CAS Common Chemistry NIST WebBook