Common name
1,3-dihydrobenzimidazol-2-one
IUPAC name
1,3-dihydrobenzimidazol-2-one
SMILES
O=c1[nH]c2c([nH]1)cccc2
Common name
1,3-dihydrobenzimidazol-2-one
IUPAC name
1,3-dihydrobenzimidazol-2-one
SMILES
O=c1[nH]c2c([nH]1)cccc2
INCHI
InChI=1S/C7H6N2O/c10-7-8-5-3-1-2-4-6(5)9-7/h1-4H,(H2,8,9,10)
FORMULA
C7H6N2O
Common name
1,3-dihydrobenzimidazol-2-one
IUPAC name
1,3-dihydrobenzimidazol-2-one
Molecular weight
134.135
clogP
2.218
clogS
-2.179
Frequency
0.0017
HBond Acceptor
1
HBond Donor
2
Total PolarSurface Area
48.65
Number of Rings
2
Rotatable Bond
0
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD00325 | Droperidol |
|
Antipsychotic Agents; Adjuvants, Anesthesia; Adrenergic alpha-1 Receptor Antagonists; Antiemetics; Dopamine Antagonists; Nervous System; Psycholeptics; Butyrophenone Derivatives; Dopamine D2 Receptor Antagonists; | Droperidol is ssed to produce tranquilization and to reduce the incidence of nausea and vomiting in surgical and diagnostic procedures. |
| FDBD00950 | Pimozide |
|
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; | Used for the suppression of motor and phonic tics in patients with Tourette's Disorder who have failed to respond satisfactorily to standard treatment. |
| FDBD01030 | Domperidone |
|
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; | For management of dyspepsia, heartburn, epigastric pain, nausea, and vomiting. |
| FDBD01346 | Flibanserin |
|
Genito Urinary System and Sex Hormones; CYP3A4 Inhibitors; | For the treatment of hypoactive sexual desire disorder (HSDD) in premenopausal women. |
| FDBD01533 | Azilsartan medoxomil |
|
Angiotensin Receptor Antagonists; Cardiovascular System; Angiotensin II Antagonists, Plain; Agents Acting on the Renin-Angiotensin System; Angiotensin II Antagonists and Diuretics; Angiotensin II Receptor Antagonists; | Treatment of hypertension (alone or as an adjunct). |
5 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 5ct7_ligand_1_3.mol2 | 5ct7 | 0.782609 | -7.12 | c12c(cccc1)N([C@H](N2)N)C | 11 |
| 3hnb_ligand_2_22.mol2 | 3hnb | 0.782609 | -5.90 | N1(C(N(c2c1cccc2)C)[NH3+])C | 12 |
| 5ct7_ligand_2_15.mol2 | 5ct7 | 0.765957 | -8.53 | c12c(cccc1)N([C@H](N2)Nc1ccccc1)C | 17 |
| 2zjf_ligand.mol2 | 2zjf | 0.744186 | -9.33 | N(C(=O)Nc1ccccc1)c1ccccc1 | 17 |
| 5a14_ligand_2_2.mol2 | 5a14 | 0.744186 | -9.01 | c1(ccccc1)NC(=O)Nc1ccccc1 | 16 |
| 5ali_ligand_2_5.mol2 | 5ali | 0.744186 | -8.96 | c1(ccccc1)NC(=O)Nc1ccccc1 | 16 |
| 4jbo_ligand_2_54.mol2 | 4jbo | 0.744186 | -8.57 | c1(ccccc1)NC(=O)Nc1ccccc1 | 16 |
| 3eta_ligand_2_15.mol2 | 3eta | 0.744186 | -8.56 | c1cccc(c1)NC(=O)Nc1ccccc1 | 16 |
| 4jbp_ligand_2_54.mol2 | 4jbp | 0.744186 | -8.53 | c1ccc(cc1)NC(=O)Nc1ccccc1 | 16 |
121 ,
13
