Chemical Properties of Pimozide (CAS 2062-78-4)

Pimozide

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)
InChI Key
YVUQSNJEYSNKRX-UHFFFAOYSA-N
Formula
C28H29F2N3O
SMILES
O=c1[nH]c2ccccc2n1C1CCN(CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1
Molecular Weight1
461.55
CAS
2062-78-4
Other 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]-
  • R 6238
  • McN-JR 6238
  • Opiran
  • Orap
  • 1-(1-(4,4-Bis(p-fluorophenyl)butyl)-4-piperidyl)-2-benzimidazolinone
  • 1-(4,4-Bis(p-fluorophenyl)butyl)-4-(2-oxo-1-benzimidazolinyl)piperidine
  • 1-[1-[4,4-Bis(p-flurophenyl)butyl]-4-piperidyl]-2-benzimidazolinone
  • NSC 170984
  • Primozide
  • 1-[1-[4,4-bis(4-fluorophenyl)butyl]-4-piperidyl]-2-benzimidazolinone (pimozide)
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Physical Properties

Property Value Unit Source
log10WS -5.72 Relay (1.0) Calculated Property
logPoct/wat 5.375 Crippen Calculated Property
McVol 347.430 ml/mol McGowan Calculated Property

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
ΔfusH 46.90 kJ/mol 493.50 NIST

Similar Compounds

Zinc octaethylporphyrin chloride. ethyl eburnamenine-14-carboxylate. (1R,9S)-1-Acetoxy-N-acetyl-1,9-dihydro-anhydronornarceine. Hydromorphone, trimethylsilyl ether. 3-O,6-O,N-Triacetylnormorphine. Thebaine. Nicocodine. BUPRENORPHINE. Methysergide. Morphinan-6-ol, 7,8-didehydro-4,5-epoxy-3-methoxy-17-methyl-, acetate (ester), (5«alpha»,6«alpha»)-. Ergocristine. Ajmaline. Triazolo[4,5-d]pyrimidin-7-ol,3h-v-, 5-amino-3-(2',3'-o-isopropylidene-beta-d-ribofuranosyl)-, 5'-diphenyl phosphate (keto form). Morphinan-3,6-diol, 7,8-didehydro-4,5-epoxy-17-methyl- (5«alpha»,6«alpha»)-, bis(trifluoroacetate) (ester). [2,2'-Bimorphinan]-3,3',6,6'-tetrol, 7,7',8,8'-tetradehydro-4,5:4',5'-diepoxy-17,17'-dimethyl-, (5«alpha»,6«alpha»)-(5'«alpha»,6'«alpha»)-.

Find more compounds similar to Pimozide.

Sources

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