IUPAC name
5-chloro-1-{1-[3-(2-oxo-2,3-dihydro-1H-1,3-benzodiazol-1-yl)propyl]piperidin-4-yl}-2,3-dihydro-1H-1,3-benzodiazol-2-one
SMILES
ClC1=CC2=C(C=C1)N(C1CCN(CCCN3C(=O)NC4=CC=CC=C34)CC1)C(=O)N2
Compound class
Antiprotozoal Agents; Antiemetics; Dopamine Antagonists; Alimentary Tract and Metabolism; Antiparasitic Products, Insecticides and Repellents; Agents Against Protozoal Diseases; Drugs for Functional Gastrointestinal Disorders; Propulsives; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP1A2 Inducers; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 CYP2C8 Inducers; Cytochrome P-450 CYP2B6 Inducers; Cytochrome P-450 CYP2B6 Inhibitors; CYP2B6 Inhibitors (strong); CYP2D6 Inducers; CYP2D6 Inducers (strong); CYP3A4 Inhibitors;
Therapeutic area
For management of dyspepsia, heartburn, epigastric pain, nausea, and vomiting.
Common name
Domperidone
IUPAC name
5-chloro-1-{1-[3-(2-oxo-2,3-dihydro-1H-1,3-benzodiazol-1-yl)propyl]piperidin-4-yl}-2,3-dihydro-1H-1,3-benzodiazol-2-one
SMILES
ClC1=CC2=C(C=C1)N(C1CCN(CCCN3C(=O)NC4=CC=CC=C34)CC1)C(=O)N2
INCHI
InChI=1S/C22H24ClN5O2/c23-15-6-7-20-18(14-15)25-22(30)28(20)16-8-12-26(13-9-16)10-3-11-27-19-5-2-1-4-17(19)24-21(27)29/h1-2,4-7,14,16H,3,8-13H2,(H,24,29)(H,25,30)
FORMULA
C22H24ClN5O2
Common name
Domperidone
IUPAC name
5-chloro-1-{1-[3-(2-oxo-2,3-dihydro-1H-1,3-benzodiazol-1-yl)propyl]piperidin-4-yl}-2,3-dihydro-1H-1,3-benzodiazol-2-one
Molecular weight
425.911
clogP
3.534
clogS
-5.269
HBond Acceptor
3
HBond Donor
2
Total Polar Surface Area
78.82
Number of Rings
5
Rotatable Bond
5
| Drug ID | Common name | Structure CAS | SMILE | Frequency |
|---|---|---|---|---|
| FDBF00007 | propane |
|
C(C)C | 0.2412 |
| FDBF00666 | 1-propylpiperidine |
|
C(C)CN1CCCCC1 | 0.0041 |
| FDBF00671 | 1-ethylpiperidine |
|
N1(CCCCC1)CC | 0.0106 |
| FDBF00992 | 1,3-dihydrobenzimidazol-2-one |
|
O=c1[nH]c2c([nH]1)cccc2 | 0.0017 |
| FDBF02686 | 6-chloro-3-(4-piperidyl)-1H-benzimidazol-2-one |
|
Clc1cc2[nH]c(=O)n(c2cc1)C3CCNCC3 | 0.0003 |
| FDBF02688 | 6-chloro-3-(1-methyl-4-piperidyl)-1H-benzimidazol-2-one |
|
Clc1cc2[nH]c(=O)n(c2cc1)C3CCN(CC3)C | 0.0003 |
| FDBF02689 | 3-ethyl-1H-benzimidazol-2-one |
|
O=c1n(c2c([nH]1)cccc2)CC | 0.0007 |
| FDBF02690 | 6-chloro-3-(1-ethyl-4-piperidyl)-1H-benzimidazol-2-one |
|
Clc1cc2[nH]c(=O)n(c2cc1)C3CCN(CC3)CC | 0.0003 |
| FDBF02693 | 5-chloro-1,3-dihydrobenzimidazol-2-one |
|
Clc1cc2[nH]c(=O)[nH]c2cc1 | 0.0003 |
