Common name
1-[(4-phenylphenyl)methyl]imidazole
IUPAC name
1-[(4-phenylphenyl)methyl]imidazole
SMILES
c1(ccccc1)c2ccc(cc2)Cn3ccnc3
Common name
1-[(4-phenylphenyl)methyl]imidazole
IUPAC name
1-[(4-phenylphenyl)methyl]imidazole
SMILES
c1(ccccc1)c2ccc(cc2)Cn3ccnc3
INCHI
InChI=1S/C16H14N2/c1-2-4-15(5-3-1)16-8-6-14(7-9-16)12-18-11-10-17-13-18/h1-11,13H,12H2
FORMULA
C16H14N2
Common name
1-[(4-phenylphenyl)methyl]imidazole
IUPAC name
1-[(4-phenylphenyl)methyl]imidazole
Molecular weight
235.304
clogP
2.274
clogS
-4.043
Frequency
0.0003
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 |
|---|---|---|---|---|
| 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). |
1 ,
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 | 0.770492 | -6.48 | c1[n+](c[nH]c1)Cc1ccc(cc1)C#N | 14 |
| 1s63_ligand_2_9.mol2 | 1s63 | 0.770492 | -6.03 | c1[n+](c[nH]c1)Cc1ccc(cc1)C#N | 14 |
| 1n9a_ligand_2_7.mol2 | 1n9a | 0.770492 | -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 |
| 4jvb_ligand_2_0.mol2 | 4jvb | 0.666667 | -8.21 | [n+]1(c2ccccc2[nH]c1)Cc1ccccc1 | 16 |
133 ,
14
