2-((6-Methoxy-1H-benzimidazole-2-sulfinyl)methyl)-3,5-dimethylpyridin-4(1H)-one

C₁₆H₁₇N₃O₃SCAS 301669-82-9331.39 g/mol

Open in Covalent MOL file

Ether Sulfoxide

Properties

Molecular formula: C₁₆H₁₇N₃O₃S
Molar mass: 331.39 g/mol
Exact mass: 331.0991 Da
logP: 2.18Crippen estimate
Polar surface area: 87.8 Å²
H-bond donors / acceptors: 2 / 4
Rotatable bonds: 4

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

301669-82-9

SMILES

CC1=CNC(=C(C1=O)C)CS(=O)C2=NC3=C(N2)C=C(C=C3)OC

InChIKey

VSOAYQZFYNZNKR-UHFFFAOYSA-N

InChI

InChI=1S/C16H17N3O3S/c1-9-7-17-14(10(2)15(9)20)8-23(21)16-18-12-5-4-11(22-3)6-13(12)19-16/h4-7H,8H2,1-3H3,(H,17,20)(H,18,19)

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Names and synonyms

1 names

4-Hydroxy omeprazole

Work with 2-((6-Methoxy-1H-benzimidazole-2-sulfinyl)methyl)-3,5-dimethylpyridin-4(1H)-one

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

(-)-Omeprazole119141-88-762 % similar (+)-Omeprazole119141-89-862 % similar Omeprazole73590-58-662 % similar (S)-4-Desmethoxy-4-chloro omeprazole863029-89-460 % similar Esomeprazole sodium161796-78-759 % similar Omeprazole sodium95510-70-659 % similar 5-Methoxy-2-[(3,5-dimethyl-2-pyridinyl)-methylsulfinyl]-benzimidazole110374-16-858 % similar 5-Methoxy-2-[((4-methoxy-3,5-dimethyl-1-oxido-2-pyridinyl)methyl)sulfinyl]-benzimidazole176219-04-858 % similar

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

Elsewhere

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