IUPAC name
1-[4-(4-chlorophenyl)-2-[(2,6-dichlorophenyl)sulfanyl]butyl]-1H-imidazole
SMILES
ClC1=CC=C(CCC(CN2C=CN=C2)SC2=C(Cl)C=CC=C2Cl)C=C1
Compound class
Antifungal Agents; Genito Urinary System and Sex Hormones; Gynecological Antiinfectives and Antiseptics; Imidazole Derivatives;
Therapeutic area
For the local treatment of vulvovaginal candidiasis (infections caused by Candida).
Common name
Butoconazole
IUPAC name
1-[4-(4-chlorophenyl)-2-[(2,6-dichlorophenyl)sulfanyl]butyl]-1H-imidazole
SMILES
ClC1=CC=C(CCC(CN2C=CN=C2)SC2=C(Cl)C=CC=C2Cl)C=C1
INCHI
InChI=1S/C19H17Cl3N2S/c20-15-7-4-14(5-8-15)6-9-16(12-24-11-10-23-13-24)25-19-17(21)2-1-3-18(19)22/h1-5,7-8,10-11,13,16H,6,9,12H2
FORMULA
C19H17Cl3N2S
Common name
Butoconazole
IUPAC name
1-[4-(4-chlorophenyl)-2-[(2,6-dichlorophenyl)sulfanyl]butyl]-1H-imidazole
Molecular weight
411.776
clogP
6.186
clogS
-7.063
HBond Acceptor
1
HBond Donor
0
Total Polar Surface Area
43.12
Number of Rings
3
Rotatable Bond
7
| Drug ID | Common name | Structure CAS | SMILE | Frequency |
|---|---|---|---|---|
| FDBF00011 | imidazole |
|
[nH]1ccnc1 | 0.0175 |
| FDBF00016 | chlorobenzene |
|
c1ccc(cc1)Cl | 0.0718 |
| FDBF00099 | ethanethiol |
|
CCS | 0.0165 |
| FDBF00490 | 1-methylimidazole |
|
n1(ccnc1)C | 0.0058 |
| FDBF00653 | 1-ethylimidazole |
|
C(C)n1ccnc1 | 0.0031 |
| FDBF01025 | propane-1-thiol |
|
CCCS | 0.0062 |
| FDBF01458 | 1-propylimidazole |
|
C(C)Cn1ccnc1 | 0.0007 |
| FDBF01459 | 2-imidazol-1-ylethanethiol |
|
C(Cn1ccnc1)S | 0.0007 |
| FDBF01463 | 1-butylimidazole |
|
C(CC)Cn1ccnc1 | 0.0007 |
| FDBF01464 | (2R)-1-imidazol-1-ylbutane-2-thiol |
|
C(CC)(Cn1ccnc1)S | 0.0003 |
16 ,
2
