2-[[(4-Chloro-3-methoxy-2-pyridinyl)methyl]thio]-6-(difluoromethoxy)-1H-benzimidazole

C₁₅H₁₂ClF₂N₃O₂SCAS 368890-20-4371.79 g/mol

Open in Covalent MOL file

Alkyl halide Aryl halide Ether Sulfide

Properties

Molecular formula: C₁₅H₁₂ClF₂N₃O₂S
Molar mass: 371.79 g/mol
Exact mass: 371.0307 Da
logP: 4.51Crippen estimate
Polar surface area: 60.0 Å²
H-bond donors / acceptors: 1 / 5
Rotatable bonds: 6

Hazards

Warning

H302 Harmful if swallowed33.3% of notifiers
H312 Harmful in contact with skin33.3% of notifiers
H315 Causes skin irritation33.3% of notifiers
H319 Causes serious eye irritation33.3% of notifiers
H332 Harmful if inhaled33.3% of notifiers
H335 May cause respiratory irritation33.3% of notifiers

Aggregated from 3 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

368890-20-4

SMILES

COc1c(Cl)ccnc1CSc1nc2ccc(OC(F)F)cc2[nH]1

InChIKey

SEHIARBDRGKABK-UHFFFAOYSA-N

InChI

InChI=1S/C15H12ClF2N3O2S/c1-22-13-9(16)4-5-19-12(13)7-24-15-20-10-3-2-8(23-14(17)18)6-11(10)21-15/h2-6,14H,7H2,1H3,(H,20,21)

Weigh it out

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

Names and synonyms

7 names

1H-Benzimidazole, 2-[[(4-chloro-3-methoxy-2-pyridinyl)methyl]thio]-6-(difluoromethoxy)-
1H-Benzimidazole, 2-[[(4-chloro-3-methoxy-2-pyridinyl)methyl]thio]-5-(difluoromethoxy)-
2-[[(4-Chloro-3-methoxy-2-pyridyl)methyl]thio]-5-(difluoromethoxy)-1H-benzimidazole
5-(Difluoromethoxy)-2-[[(3-methoxy-4-chloro-2-pyridinyl)methyl]mercapto]-1H-benzimidazole
5-(Difluoromethoxy)-2-[[(4-chloro-3-methoxy-2-pyridinyl)methyl]thio]-1H-benzimidazole
2-[(4-Chloro-3-methoxypyridin-2-yl)methylsulfanyl]-6-(difluoromethoxy)-1H-benzimidazole
2-(((4-Chloro-3-methoxypyridin-2-yl)methyl)thio)-5-(difluoromethoxy)-1H-benzo[d]imidazole

Work with 2-[[(4-Chloro-3-methoxy-2-pyridinyl)methyl]thio]-6-(difluoromethoxy)-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

Pantoprazole sulfide102625-64-980 % similar Pantoprazole102625-70-754 % similar Omeprazole sulfide73590-85-953 % similar 5-Difluoromethoxy-2-[[(3,4-dimethoxypyridin-2-yl)methyl]sulfinyl]-1H-benzimidazole sodium salt138786-67-152 % similar Pantoprazole sodium sesquihydrate164579-32-248 % similar 5-(Difluoromethoxy)-2-mercapto-1H-benzimidazole97963-62-742 % similar 2-Chloro-5-methoxy-1H-benzimidazole15965-54-540 % similar Lansoprazole sulfide103577-40-836 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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