chempirical

Pimozide

C28H29F2N3OCAS 2062-78-4461.56 g/mol

Open in Covalent MOL file
HONNNFF
Aryl halidePhenolTertiary amine

Properties

Molecular formula
C28H29F2N3O
Molar mass
461.56 g/mol
Exact mass
461.2279 Da
Melting point
214–218 °C
logP
6.27Crippen estimate
Polar surface area
41.3 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
7

Identifiers

CAS number
2062-78-4
SMILES
Oc1nc2ccccc2n1C1CCN(CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1
InChIKey
YVUQSNJEYSNKRX-UHFFFAOYSA-N
InChI
InChI=1S/C28H29F2N3O/c29-22-11-7-20(8-12-22)25(21-9-13-23(30)14-10-21)4-3-17-32-18-15-24(16-19-32)33-27-6-2-1-5-26(27)31-28(33)34/h1-2,5-14,24-25H,3-4,15-19H2,(H,31,34)

Weigh it out

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

Names and synonyms

11 names
  • 2H-Benzimidazol-2-one, 1-[1-[4,4-bis(4-fluorophenyl)butyl]-4-piperidinyl]-1,3-dihydro-
  • 2-Benzimidazolinone, 1-[1-[4,4-bis(p-fluorophenyl)butyl]-4-piperidyl]-
  • 1-[1-[4,4-Bis(4-fluorophenyl)butyl]-4-piperidinyl]-1,3-dihydro-2H-benzimidazol-2-one
  • R 6238
  • 1-[4,4-Bis(p-fluorophenyl)butyl]-4-(2-oxo-1-benzimidazolinyl)piperidine
  • 1-[1-[4,4-Bis(p-fluorophenyl)butyl]-4-piperidyl]-2-benzimidazolinone
  • Orap
  • NSC 170984
  • Primozide
  • 1-(1-(4,4-Bis(4-fluorophenyl)butyl)-4-piperindinyl)-1,3-dihydro-2H-benzimidazol-2-one
  • Apo-pimozide

Work with Pimozide

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

Benperidol2062-84-268 % similar Domperidone57808-66-955 % similar 1,3-Dihydro-1-(4-piperidinyl)-2H-benzimidazol-2-one20662-53-750 % similar 2H-Benzimidazol-2-one, 5-chloro-1-[1-[3-(2,3-dihydro-2-oxo-1H-benzimidazol-1-yl)propyl]-4-piperidinyl]-1,3-dihydro-, (2Z)-2-butenedioate99497-03-747 % similar Oxatomide60607-34-342 % similar Droperidol548-73-241 % similar Ketanserin74050-98-939 % similar Penfluridol26864-56-237 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook