Common name
1-benzhydrylimidazole
IUPAC name
1-benzhydrylimidazole
SMILES
n1(ccnc1)C(c2ccccc2)c3ccccc3
Common name
1-benzhydrylimidazole
IUPAC name
1-benzhydrylimidazole
SMILES
n1(ccnc1)C(c2ccccc2)c3ccccc3
INCHI
InChI=1S/C16H14N2/c1-3-7-14(8-4-1)16(18-12-11-17-13-18)15-9-5-2-6-10-15/h1-13,16H
FORMULA
C16H14N2
Common name
1-benzhydrylimidazole
IUPAC name
1-benzhydrylimidazole
Molecular weight
235.304
clogP
1.972
clogS
-3.535
Frequency
0.0007
HBond Acceptor
0
HBond Donor
1
Total PolarSurface Area
19.67
Number of Rings
3
Rotatable Bond
3
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD00145 | Clotrimazole |
|
Antifungal Agents; 14-alpha Demethylase Inhibitors; Anti-Infective Agents, Local; Genito Urinary System and Sex Hormones; Alimentary Tract and Metabolism; Antiinfectives for Systemic Use; Stomatological Preparations; Dermatologicals; Gynecological Antiinfectives and Antiseptics; Imidazole and Triazole Derivatives; Antifungals for Topical Use; Antifungals for Dermatological Use; Antimycotics for Systemic Use; Imidazole Derivatives; Antiinfectives and Antiseptics for Local Oral Treatment; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP1A2 Inducers; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 CYP2C9 Inducers; Cytochrome P-450 CYP2C19 Inducers; Cytochrome P-450 CYP2C8 Inducers; Cytochrome P-450 CYP2B6 Inducers; Cytochrome P-450 CYP2B6 Inhibitors; CYP2A6 Inhibitors; CYP2A6 Inhibitors (strong); CYP2A6 Inhibitors (moderate); CYP2A6 Inducers; CYP2A6 Inducers (strong); CYP2B6 Inhibitors (strong); CYP2D6 Inducers; CYP2D6 Inducers (strong); CYP2E1 Inhibitors; CYP2E1 Inducers; CYP2E1 Inducers (strong); CYP3A4 Inhibitors; Combined Inducers of CYP3A4 and P-glycoprotein; Combined Inhibitors of CYP3A4 and P-glycoprotein; | For the local treatment of oropharyngeal candidiasis and vaginal yeast infections, also used in fungal infections of the skin such as ringworm, athlete's foot, and jock itch. |
| FDBD01320 | Bifonazole |
|
Antifungal Agents; Dermatologicals; Imidazole and Triazole Derivatives; Antifungals for Topical Use; Antifungals for Dermatological Use; Cytochrome P-450 CYP2C19 Inducers; Cytochrome P-450 CYP2B6 Inducers; Cytochrome P-450 CYP2B6 Inhibitors; CYP2B6 Inhibitors (strong); CYP2E1 Inhibitors; CYP2E1 Inducers; CYP2E1 Inducers (strong); CYP3A4 Inhibitors; | Used for the treatment of various topical fungal infections, including athlete's foot (tinea pedis). |
2 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2afx_ligand.mol2 | 2afx | 0.851852 | -6.89 | c1cncn1Cc1ccccc1 | 13 |
| 4d8n_ligand_2_0.mol2 | 4d8n | 0.851852 | -5.94 | [n+]1(cc[nH]c1)Cc1ccccc1 | 12 |
| 1s64_ligand_2_9.mol2 | 1s64 | 0.741935 | -6.48 | c1[n+](c[nH]c1)Cc1ccc(cc1)C#N | 14 |
| 1s63_ligand_2_9.mol2 | 1s63 | 0.741935 | -6.03 | c1[n+](c[nH]c1)Cc1ccc(cc1)C#N | 14 |
| 1n9a_ligand_2_7.mol2 | 1n9a | 0.741935 | -5.71 | c1c(ccc(c1)C#N)C[n+]1c[nH]cc1 | 14 |
| 4d8n_ligand_3_0.mol2 | 4d8n | 0.730159 | -6.11 | [n+]1(cc[nH]c1C)Cc1ccccc1 | 13 |
| 4l7o_ligand_2_0.mol2 | 4l7o | 0.676923 | -7.00 | C(C)c1ccc([n+]2cc[nH]c2)cc1 | 13 |
100 ,
11
