5-Methoxy-2-[(3,5-dimethyl-2-pyridinyl)-methylsulfinyl]-benzimidazole

C16H17N3O2SCAS 110374-16-8315.39 g/mol

Open in Covalent MOL file
NSONNHO
EtherSulfoxide

Properties

Molecular formula
C16H17N3O2S
Molar mass
315.39 g/mol
Exact mass
315.1041 Da
logP
2.89Crippen estimate
Polar surface area
67.9 Ų
H-bond donors / acceptors
1 / 4
Rotatable bonds
4

Hazards

Warning
Irritant (GHS07)Environmental Hazard (GHS09)

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

Precautionary statements

P264, P270, P273, P280, P301+P317, P302+P352, P321, P330, P332+P317, P362+P364, P391, P501

Identifiers

CAS number
110374-16-8
SMILES
CC1=CC(=C(N=C1)CS(=O)C2=NC3=C(N2)C=C(C=C3)OC)C
InChIKey
ZMXZYNHJPJEPAE-UHFFFAOYSA-N
InChI
InChI=1S/C16H17N3O2S/c1-10-6-11(2)15(17-8-10)9-22(20)16-18-13-5-4-12(21-3)7-14(13)19-16/h4-8H,9H2,1-3H3,(H,18,19)

Weigh it out

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

Work with 5-Methoxy-2-[(3,5-dimethyl-2-pyridinyl)-methylsulfinyl]-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

(-)-Omeprazole119141-88-773 % similar (+)-Omeprazole119141-89-873 % similar Omeprazole73590-58-673 % similar (S)-4-Desmethoxy-4-chloro omeprazole863029-89-470 % similar 2-((6-Methoxy-1H-benzimidazole-2-sulfinyl)methyl)-3,5-dimethylpyridin-4(1H)-one301669-82-958 % similar 5-Methoxy-2-[((4-methoxy-3,5-dimethyl-1-oxido-2-pyridinyl)methyl)sulfinyl]-benzimidazole176219-04-856 % similar Pantoprazole102625-70-754 % similar 5-Difluoromethoxy-2-[[(3,4-dimethoxypyridin-2-yl)methyl]sulfinyl]-1H-benzimidazole sodium salt138786-67-151 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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