Common name
1-butylimidazole
IUPAC name
1-butylimidazole
SMILES
C(CC)Cn1ccnc1
Common name
1-butylimidazole
IUPAC name
1-butylimidazole
SMILES
C(CC)Cn1ccnc1
INCHI
InChI=1S/C7H12N2/c1-2-3-5-9-6-4-8-7-9/h4,6-7H,2-3,5H2,1H3
FORMULA
C7H12N2
Common name
1-butylimidazole
IUPAC name
1-butylimidazole
Molecular weight
125.192
clogP
0.101
clogS
-1.518
Frequency
0.0007
HBond Acceptor
0
HBond Donor
1
Total PolarSurface Area
19.67
Number of Rings
1
Rotatable Bond
3
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD00504 | Butoconazole |
|
Antifungal Agents; Genito Urinary System and Sex Hormones; Gynecological Antiinfectives and Antiseptics; Imidazole Derivatives; | For the local treatment of vulvovaginal candidiasis (infections caused by Candida). |
| FDBD00830 | Telithromycin |
|
Anti-Bacterial Agents; Ketolides; Macrolides; Antibacterials for Systemic Use; Antiinfectives for Systemic Use; Macrolides, Lincosamides and Streptogramins; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP1A2 Inducers; CYP2D6 Inducers; CYP2D6 Inducers (strong); CYP3A4 Inhibitors; | For the treatment of . |
2 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 5dtj_ligand_4_34.mol2 | 5dtj | 1 | -6.39 | C(CC)C[n+]1cc[nH]c1 | 9 |
| 5ahu_ligand_4_140.mol2 | 5ahu | 1 | -6.38 | [n+]1(cc[nH]c1)CCCC | 9 |
| 5afx_ligand_4_295.mol2 | 5afx | 1 | -6.31 | CCCC[n+]1cc[nH]c1 | 9 |
| 4ga3_ligand_3_0.mol2 | 4ga3 | 1 | -6.15 | C(CCC)[n+]1cc[nH]c1 | 9 |
| 4n1z_ligand_4_175.mol2 | 4n1z | 1 | -6.14 | C(CCC)[n+]1cc[nH]c1 | 9 |
152 ,
16
