chempirical

Sb 203580

C21H16FN3OSCAS 152121-47-6377.44 g/mol

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SONNFHN
Aryl halideSulfoxide

Properties

Molecular formula
C21H16FN3OS
Molar mass
377.44 g/mol
Exact mass
377.0998 Da
logP
4.68Crippen estimate
Polar surface area
58.6 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
4

Identifiers

CAS number
152121-47-6
SMILES
CS(=O)c1ccc(-c2nc(-c3ccncc3)c(-c3ccc(F)cc3)[nH]2)cc1
InChIKey
CDMGBJANTYXAIV-UHFFFAOYSA-N
InChI
InChI=1S/C21H16FN3OS/c1-27(26)18-8-4-16(5-9-18)21-24-19(14-2-6-17(22)7-3-14)20(25-21)15-10-12-23-13-11-15/h2-13H,1H3,(H,24,25)

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Names and synonyms

7 names
  • Pyridine, 4-[4-(4-fluorophenyl)-2-[4-(methylsulfinyl)phenyl]-1H-imidazol-5-yl]-
  • Pyridine, 4-[5-(4-fluorophenyl)-2-[4-(methylsulfinyl)phenyl]-1H-imidazol-4-yl]-
  • 4-[4-(4-Fluorophenyl)-2-[4-(methylsulfinyl)phenyl]-1H-imidazol-5-yl]pyridine
  • PB 203580
  • RWJ 64809
  • BIRB 203580
  • 4-[4-(4-Fluorophenyl)-2-(4-methylsulfinylphenyl)-1H-imidazol-5-yl]pyridine

Work with Sb 203580

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-(4-Fluorophenyl)-2-(4-hydroxyphenyl)-5-(4-pyridyl)-1H-imidazole152121-30-763 % similar 2,4,5-Triphenylimidazole484-47-939 % similar Sb 590885405554-55-433 % similar Methyl phenyl sulfoxide1193-82-430 % similar

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

Elsewhere

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