IUPAC name
1-{1-[4,4-bis(4-fluorophenyl)butyl]piperidin-4-yl}-2,3-dihydro-1H-1,3-benzodiazol-2-one
SMILES
FC1=CC=C(C=C1)C(CCCN1CCC(CC1)N1C(=O)NC2=CC=CC=C12)C1=CC=C(F)C=C1
Compound class
Antipsychotic Agents; Dopamine Antagonists; Anti-Dyskinesia Agents; Nervous System; Psycholeptics; Diphenylbutylpiperidine Derivatives; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP1A2 Inducers; Cytochrome P-450 CYP2C19 Inducers; CYP2D6 Inducers; CYP2D6 Inducers (strong); CYP2E1 Inhibitors; CYP2E1 Inducers; CYP2E1 Inducers (strong); CYP3A4 Inhibitors; Combined Inhibitors of CYP3A4 and P-glycoprotein;
Therapeutic area
Used for the suppression of motor and phonic tics in patients with Tourette's Disorder who have failed to respond satisfactorily to standard treatment.
Common name
Pimozide
IUPAC name
1-{1-[4,4-bis(4-fluorophenyl)butyl]piperidin-4-yl}-2,3-dihydro-1H-1,3-benzodiazol-2-one
SMILES
FC1=CC=C(C=C1)C(CCCN1CCC(CC1)N1C(=O)NC2=CC=CC=C12)C1=CC=C(F)C=C1
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)
FORMULA
C28H29F2N3O
Common name
Pimozide
IUPAC name
1-{1-[4,4-bis(4-fluorophenyl)butyl]piperidin-4-yl}-2,3-dihydro-1H-1,3-benzodiazol-2-one
Molecular weight
461.546
clogP
6.328
clogS
-7.389
HBond Acceptor
2
HBond Donor
1
Total Polar Surface Area
41.03
Number of Rings
5
Rotatable Bond
7
| Drug ID | Common name | Structure CAS | SMILE | Frequency |
|---|---|---|---|---|
| FDBF00007 | propane |
|
C(C)C | 0.2412 |
| FDBF00067 | butane |
|
CCCC | 0.0680 |
| FDBF00378 | fluorobenzene |
|
Fc1ccccc1 | 0.0237 |
| FDBF00666 | 1-propylpiperidine |
|
C(C)CN1CCCCC1 | 0.0041 |
| FDBF00671 | 1-ethylpiperidine |
|
N1(CCCCC1)CC | 0.0106 |
| FDBF00673 | 1-butylpiperidine |
|
C(C)CCN1CCCCC1 | 0.0014 |
| FDBF00992 | 1,3-dihydrobenzimidazol-2-one |
|
O=c1[nH]c2c([nH]1)cccc2 | 0.0017 |
| FDBF01444 | 1-fluoro-4-methyl-benzene |
|
Cc1ccc(cc1)F | 0.0038 |
| FDBF02500 | 3-(4-piperidyl)-1H-benzimidazol-2-one |
|
O=c1n(c2c([nH]1)cccc2)C3CCNCC3 | 0.0003 |
| FDBF02501 | 3-(1-methyl-4-piperidyl)-1H-benzimidazol-2-one |
|
CN1CCC(CC1)n2c(=O)[nH]c3c2cccc3 | 0.0003 |
