chempirical

Mizolastine

C24H25FN6OCAS 108612-45-9432.50 g/mol

Open in Covalent MOL file
NNOHNNNNF
Aryl halidePhenolTertiary amine

Properties

Molecular formula
C24H25FN6O
Molar mass
432.50 g/mol
Exact mass
432.2074 Da
logP
3.82Crippen estimate
Polar surface area
70.3 Ų
H-bond donors / acceptors
1 / 6
Rotatable bonds
5

Identifiers

CAS number
108612-45-9
SMILES
CN(c1nccc(O)n1)C1CCN(c2nc3ccccc3n2Cc2ccc(F)cc2)CC1
InChIKey
PVLJETXTTWAYEW-UHFFFAOYSA-N
InChI
InChI=1S/C24H25FN6O/c1-29(23-26-13-10-22(32)28-23)19-11-14-30(15-12-19)24-27-20-4-2-3-5-21(20)31(24)16-17-6-8-18(25)9-7-17/h2-10,13,19H,11-12,14-16H2,1H3,(H,26,28,32)

Weigh it out

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

Names and synonyms

9 names
  • 4(3H)-Pyrimidinone, 2-[[1-[1-[(4-fluorophenyl)methyl]-1H-benzimidazol-2-yl]-4-piperidinyl]methylamino]-
  • 4(1H)-Pyrimidinone, 2-[[1-[1-[(4-fluorophenyl)methyl]-1H-benzimidazol-2-yl]-4-piperidinyl]methylamino]-
  • 2-[[1-[1-[(4-Fluorophenyl)methyl]-1H-benzimidazol-2-yl]-4-piperidinyl]methylamino]-4(3H)-pyrimidinone
  • MKC 431
  • SL 850324
  • Zolistan
  • Mistamine
  • Mizollen
  • 2-[[1-[1-[(4-Fluorophenyl)methyl]benzimidazol-2-yl]piperidin-4-yl]-methylamino]-1H-pyrimidin-6-one

Work with Mizolastine

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

2-Chloro-1-(4-fluorobenzyl)-1H-benzimidazole84946-20-341 % similar Pimozide2062-78-435 % similar Benperidol2062-84-235 % similar Clemizole hydrochloride1163-36-632 % similar Clemizole442-52-432 % similar Emedastine87233-61-231 % similar Astemizole68844-77-931 % similar

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

Elsewhere

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