Common name
1,2-dimethylbenzimidazole
IUPAC name
1,2-dimethylbenzimidazole
SMILES
Cc1nc2c(n1C)cccc2
Common name
1,2-dimethylbenzimidazole
IUPAC name
1,2-dimethylbenzimidazole
SMILES
Cc1nc2c(n1C)cccc2
INCHI
InChI=1S/C9H10N2/c1-7-10-8-5-3-4-6-9(8)11(7)2/h3-6H,1-2H3
FORMULA
C9H10N2
Common name
1,2-dimethylbenzimidazole
IUPAC name
1,2-dimethylbenzimidazole
Molecular weight
147.197
clogP
0.760
clogS
-2.237
Frequency
0.0007
HBond Acceptor
0
HBond Donor
1
Total PolarSurface Area
19.67
Number of Rings
2
Rotatable Bond
0
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD01435 | Dabigatran etexilate |
|
Antithrombins; Direct Thrombin Inhibitors; Antithrombotic Agents; Blood and Blood Forming Organs; | Dabigatran is indicated for the prevention of venous thromboembolic events in patients who have undergone elective hip or knee replacement surgery (based on RE-NOVATE, RE-MODEL, and RE-MOBILIZE trials). In 2010, it was approved in the US and Canada for prevention of stroke and systemic embolism in patients with atrial fibrillation (approval based on the RE-LY trial). Contraindications: severe renal impairment (CrCL . |
| FDBD01471 | Bendamustine |
|
Antineoplastic Agents; Antineoplastic Agents, Alkylating; Alkylating Agents; Antineoplastic and Immunomodulating Agents; Nitrogen Mustard Analogues; | Bendamustine is indicated for treatment of chronic lymphocytic leukemia (CLL). |
2 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1ndz_ligand_1_8.mol2 | 1ndz | 1 | -6.92 | c1cc2c(cc1)[n+](c([nH]2)C)C | 11 |
| 1g2m_ligand_1_4.mol2 | 1g2m | 1 | -6.72 | [n+]1(c([nH]c2c1cccc2)C)C | 11 |
| 1g30_ligand_1_2.mol2 | 1g30 | 1 | -6.66 | [nH]1c2c([n+](c1C)C)cccc2 | 11 |
| 1g32_ligand_1_2.mol2 | 1g32 | 1 | -6.66 | [nH]1c2c([n+](c1C)C)cccc2 | 11 |
| 4jn2_ligand_1_2.mol2 | 4jn2 | 1 | -6.65 | Cc1[nH]c2ccccc2[n+]1C | 11 |
| 1ktt_ligand_1_1.mol2 | 1ktt | 1 | -6.56 | Cc1[n+](c2c([nH]1)cccc2)C | 11 |
| 1g2m_ligand_1_2.mol2 | 1g2m | 1 | -6.44 | [nH]1c([n+](c2c1cccc2)C)C | 11 |
| 1g32_ligand_1_4.mol2 | 1g32 | 1 | -6.38 | [n+]1(c([nH]c2c1cccc2)C)C | 11 |
| 1g2l_ligand_1_2.mol2 | 1g2l | 1 | -6.35 | Cc1[nH]c2c([n+]1C)cccc2 | 11 |
105 ,
11
