IUPAC name
1-[2-(2,4-dichlorophenyl)-2-[(2,6-dichlorophenyl)methoxy]ethyl]-1H-imidazole
SMILES
ClC1=CC(Cl)=C(C=C1)C(CN1C=CN=C1)OCC1=C(Cl)C=CC=C1Cl
Compound class
Genito Urinary System and Sex Hormones; Dermatologicals; Gynecological Antiinfectives and Antiseptics; Imidazole and Triazole Derivatives; Antifungals for Topical Use; Antifungals for Dermatological Use; Imidazole Derivatives;
Therapeutic area
Common name
Isoconazole
IUPAC name
1-[2-(2,4-dichlorophenyl)-2-[(2,6-dichlorophenyl)methoxy]ethyl]-1H-imidazole
SMILES
ClC1=CC(Cl)=C(C=C1)C(CN1C=CN=C1)OCC1=C(Cl)C=CC=C1Cl
INCHI
InChI=1S/C18H14Cl4N2O/c19-12-4-5-13(17(22)8-12)18(9-24-7-6-23-11-24)25-10-14-15(20)2-1-3-16(14)21/h1-8,11,18H,9-10H2
FORMULA
C18H14Cl4N2O
Common name
Isoconazole
IUPAC name
1-[2-(2,4-dichlorophenyl)-2-[(2,6-dichlorophenyl)methoxy]ethyl]-1H-imidazole
Molecular weight
416.129
clogP
5.882
clogS
-7.052
HBond Acceptor
2
HBond Donor
0
Total Polar Surface Area
27.05
Number of Rings
3
Rotatable Bond
6
| Drug ID | Common name | Structure CAS | SMILE | Frequency |
|---|---|---|---|---|
| FDBF00011 | imidazole |
|
[nH]1ccnc1 | 0.0175 |
| FDBF00041 | ethanol |
|
CCO | 0.1474 |
| FDBF00490 | 1-methylimidazole |
|
n1(ccnc1)C | 0.0058 |
| FDBF00653 | 1-ethylimidazole |
|
C(C)n1ccnc1 | 0.0031 |
| FDBF02255 | (2,4-dichlorophenyl)methanol |
|
C(O)c1c(cc(cc1)Cl)Cl | 0.0021 |
| FDBF02256 | 1-[2-(2,4-dichlorophenyl)ethyl]imidazole |
|
C(Cn1ccnc1)c2c(cc(cc2)Cl)Cl | 0.0021 |
| FDBF02257 | 2-imidazol-1-ylethanol |
|
C(Cn1ccnc1)O | 0.0017 |
| FDBF02258 | 1-(2-methoxyethyl)imidazole |
|
COCCn1ccnc1 | 0.0017 |
| FDBF02259 | (1R)-1-(2,4-dichlorophenyl)-2-imidazol-1-yl-ethanol |
|
C(Cn1ccnc1)(O)c2c(cc(cc2)Cl)Cl | 0.0017 |
| FDBF03834 | (2,6-dichlorophenyl)methanol |
|
C(c1c(cccc1Cl)Cl)O | 0.0007 |
12 ,
2
