Common name
3H-benzimidazol-5-ol
IUPAC name
3H-benzimidazol-5-ol
SMILES
Oc1ccc2c(c1)[nH]cn2
Common name
3H-benzimidazol-5-ol
IUPAC name
3H-benzimidazol-5-ol
SMILES
Oc1ccc2c(c1)[nH]cn2
INCHI
InChI=1S/C7H6N2O/c10-5-1-2-6-7(3-5)9-4-8-6/h1-4,10H,(H,8,9)
FORMULA
C7H6N2O
Common name
3H-benzimidazol-5-ol
IUPAC name
3H-benzimidazol-5-ol
Molecular weight
134.135
clogP
1.594
clogS
-1.697
Frequency
0.0003
HBond Acceptor
2
HBond Donor
2
Total PolarSurface Area
48.91
Number of Rings
2
Rotatable Bond
0
| 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 |
|---|---|---|---|---|---|
| 2qu5_ligand_1_2.mol2 | 2qu5 | 1 | -6.80 | c1(cc2c(cc1)[nH+]c[nH]2)O | 10 |
| 2xnm_ligand_1_4.mol2 | 2xnm | 1 | -6.52 | [nH+]1c[nH]c2ccc(cc12)O | 10 |
| 2xno_ligand_1_1.mol2 | 2xno | 1 | -6.44 | c1(ccc2[nH+]c[nH]c2c1)O | 10 |
| 2xnp_ligand_1_4.mol2 | 2xnp | 1 | -6.35 | Oc1ccc2[nH]c[nH+]c2c1 | 10 |
| 2o5k_ligand_frag_0.mol2 | 2o5k | 0.863636 | -6.68 | c1cc2c(c(c1)O)[nH+]c[nH]2 | 10 |
| 1fv9_ligand.mol2 | 1fv9 | 0.833333 | -6.85 | c1(cc2c(cc1)nc([nH]2)N)O | 12 |
| 2i40_ligand_1_0.mol2 | 2i40 | 0.833333 | -6.41 | c1(cc2[nH+]c[nH]c2cc1)OC | 11 |
133 ,
14
