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

C₁₆H₁₇N₃O₂SCAS 110374-16-8315.39 g/mol

Open in Covalent MOL file

Ether Sulfoxide

Properties

Molecular formula: C₁₆H₁₇N₃O₂S
Molar mass: 315.39 g/mol
Exact mass: 315.1041 Da
logP: 2.89Crippen estimate
Polar surface area: 67.9 Å²
H-bond donors / acceptors: 1 / 4
Rotatable bonds: 4

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

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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

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

Elsewhere

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