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

Pimozide

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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
ω 0.9113 Relay (... Calculated Property
ΔfG° 285.48 kJ/mol Relay (... Calculated Property ⚠️
ΔfH°gas -260.20 kJ/mol Relay (... Calculated Property
ΔvapH° 168.47 kJ/mol Relay (... Calculated Property
IE 7.75 eV Relay (... Calculated Property
log10WS -5.72 Relay (... Calculated Property
logPoct/wat 5.375 Crippen Calculated Property
McVol 347.430 ml/mol McGowan Calculated Property
Pc 944.64 kPa Relay (... Calculated Property ⚠️
Tboil 809.12 K Relay (... Calculated Property
Tc 1163.55 K Relay (... Calculated Property
Tfus 457.79 K Relay (... Calculated Property
Vc 1.261 m3/kmol Relay (... Calculated Property

Temperature Dependent Properties

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

Similar Compounds

ethyl eburnamenine-14-carboxylate. Zinc octaethylporphyrin chloride. 3-O,6-O,N-Triacetylnormorphine. Benzylmorphine. Nicocodine. Buprenorphine. Dihydroergokryptine. Crinan-11-ol, 1,2-didehydro-3-methoxy-, (3«beta»,5«alpha»,11R,13«beta»,19«alpha»)-. [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»)-. Morphinan-3,6-diol, 7,8-didehydro-4,5-epoxy-17-methyl- (5«alpha»,6«alpha»)-, bis(trifluoroacetate) (ester). Triazolo[4,5-d]pyrimidin-7-ol,3h-v-, 5-amino-3-(2',3'-o-isopropylidene-beta-d-ribofuranosyl)-, 5'-diphenyl phosphate (keto form). Deserpidine. Paclitaxel. Ergotaman-3',6',18-trione, 9,10-dihydro-12'-hydroxy-2'-methyl-5'-(phenylmethyl)-, (5'«alpha»,10«alpha»)-. Ergotamine.

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