Common name
1-propylimidazole
IUPAC name
1-propylimidazole
SMILES
C(C)Cn1ccnc1
Common name
1-propylimidazole
IUPAC name
1-propylimidazole
SMILES
C(C)Cn1ccnc1
INCHI
InChI=1S/C6H10N2/c1-2-4-8-5-3-7-6-8/h3,5-6H,2,4H2,1H3
FORMULA
C6H10N2
Common name
1-propylimidazole
IUPAC name
1-propylimidazole
Molecular weight
111.165
clogP
-0.196
clogS
-1.094
Frequency
0.0007
HBond Acceptor
0
HBond Donor
1
Total PolarSurface Area
19.67
Number of Rings
1
Rotatable Bond
2
| 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 |
|---|---|---|---|---|---|
| 4fbe_ligand_3_1.mol2 | 4fbe | 1 | -6.41 | c1c[n+](c[nH]1)CCC | 8 |
| 4mhy_ligand_3_1.mol2 | 4mhy | 1 | -6.37 | c1c[n+](c[nH]1)CCC | 8 |
| 4fai_ligand_3_1.mol2 | 4fai | 1 | -6.36 | CCC[n+]1cc[nH]c1 | 8 |
| 4f9u_ligand_3_1.mol2 | 4f9u | 1 | -6.35 | c1c[n+](c[nH]1)CCC | 8 |
| 4f9v_ligand_3_1.mol2 | 4f9v | 1 | -6.28 | C(CC)[n+]1cc[nH]c1 | 8 |
| 4mhz_ligand_3_1.mol2 | 4mhz | 1 | -6.25 | C(CC)[n+]1cc[nH]c1 | 8 |
| 5dtj_ligand_3_34.mol2 | 5dtj | 1 | -6.19 | C(C)C[n+]1cc[nH]c1 | 8 |
| 5ahu_ligand_3_85.mol2 | 5ahu | 1 | -6.14 | [n+]1(cc[nH]c1)CCC | 8 |
150 ,
16
