Common name
6-(difluoromethoxy)-1H-benzimidazole
IUPAC name
6-(difluoromethoxy)-1H-benzimidazole
SMILES
FC(F)Oc1ccc2c(c1)[nH]cn2
Common name
6-(difluoromethoxy)-1H-benzimidazole
IUPAC name
6-(difluoromethoxy)-1H-benzimidazole
SMILES
FC(F)Oc1ccc2c(c1)[nH]cn2
INCHI
InChI=1S/C8H6F2N2O/c9-8(10)13-5-1-2-6-7(3-5)12-4-11-6/h1-4,8H,(H,11,12)
FORMULA
C8H6F2N2O
Common name
6-(difluoromethoxy)-1H-benzimidazole
IUPAC name
6-(difluoromethoxy)-1H-benzimidazole
Molecular weight
184.143
clogP
2.379
clogS
-2.653
Frequency
0.0003
HBond Acceptor
2
HBond Donor
1
Total PolarSurface Area
37.91
Number of Rings
2
Rotatable Bond
2
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD00101 | Pantoprazole |
|
Anti-Ulcer Agents; Proton Pump Inhibitors; Alimentary Tract and Metabolism; Drugs for Peptic Ulcer and Gastro-Oesophageal Reflux Disease (Gord); Drugs for Acid Related Disorders; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP1A2 Inducers; Cytochrome P-450 CYP2C9 Inducers; Cytochrome P-450 CYP2C19 Inducers; CYP3A4 Inhibitors; | Short-term (up to 16 weeks) treatment of erosive esophagitis. |
1 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2i40_ligand_1_0.mol2 | 2i40 | 0.842105 | -6.41 | c1(cc2[nH+]c[nH]c2cc1)OC | 11 |
| 2i40_ligand_1_5.mol2 | 2i40 | 0.842105 | -6.37 | O(C)c1ccc2[nH+]c[nH]c2c1 | 11 |
| 2i40_ligand_2_4.mol2 | 2i40 | 0.8 | -6.32 | O(C)c1c(cc2[nH+]c[nH]c2c1)OC | 13 |
| 2qu5_ligand_2_5.mol2 | 2qu5 | 0.738462 | -7.92 | c1cnccc1Oc1cc2c(cc1)[nH+]c[nH]2 | 16 |
| 2qu5_ligand_1_2.mol2 | 2qu5 | 0.701754 | -6.80 | c1(cc2c(cc1)[nH+]c[nH]2)O | 10 |
| 2xnm_ligand_1_4.mol2 | 2xnm | 0.701754 | -6.52 | [nH+]1c[nH]c2ccc(cc12)O | 10 |
| 2xno_ligand_1_1.mol2 | 2xno | 0.701754 | -6.44 | c1(ccc2[nH+]c[nH]c2c1)O | 10 |
| 2xnp_ligand_1_4.mol2 | 2xnp | 0.701754 | -6.35 | Oc1ccc2[nH]c[nH+]c2c1 | 10 |
100 ,
11
