4-Chloro-6-(trifluoromethyl)-1H-benzimidazole

C₈H₄ClF₃N₂CAS 175135-13-4220.58 g/mol

Open in Covalent MOL file

Alkyl halide Aryl halide

Properties

Molecular formula: C₈H₄ClF₃N₂
Molar mass: 220.58 g/mol
Exact mass: 220.0015 Da
logP: 3.24Crippen estimate
Polar surface area: 28.7 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 0

Identifiers

CAS number

175135-13-4

SMILES

C1=C(C=C(C2=C1NC=N2)Cl)C(F)(F)F

InChIKey

MKRPZDBFYQLJPO-UHFFFAOYSA-N

InChI

InChI=1S/C8H4ClF3N2/c9-5-1-4(8(10,11)12)2-6-7(5)14-3-13-6/h1-3H,(H,13,14)

Weigh it out

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

Names and synonyms

1 names

4-Chloro-6-(trifluoromethyl)benzimidazole

Work with 4-Chloro-6-(trifluoromethyl)-1H-benzimidazole

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-Bromo-6-(trifluoromethyl)-1H-benzimidazole175135-14-562 % similar 3,4,5-Trichlorobenzotrifluoride50594-82-647 % similar 3,5-Dichloro-4-fluorobenzotrifluoride77227-81-746 % similar 2,3-Dichloro-5-(trifluoromethyl)pyridine69045-84-745 % similar 4-Bromo-3,5-dichlorobenzotrifluoride118754-53-344 % similar 1,3-Dichloro-2-iodo-5-(trifluoromethyl)benzene175205-56-844 % similar 2,6-Dichloro-4-trifluoromethylaniline24279-39-844 % similar [2,6-Dichloro-4-(trifluoromethyl)phenyl]hydrazine86398-94-943 % similar

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

Same formula

8-Chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridine178488-36-3

Elsewhere

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