IUPAC name
2-[(4-chlorophenyl)methyl]-5-(1-methylethyl)-1-(1H-1,2,4-triazol-1-ylmethyl)cyclopentanol
SMILES
CC(C)C1CCC(Cc2ccc(cc2)Cl)C1(Cn1cncn1)O
Compound class
Fungicide
Therapeutic area
Fungicide
Common name
ipconazole
IUPAC name
2-[(4-chlorophenyl)methyl]-5-(1-methylethyl)-1-(1H-1,2,4-triazol-1-ylmethyl)cyclopentanol
SMILES
CC(C)C1CCC(Cc2ccc(cc2)Cl)C1(Cn1cncn1)O
INCHI
InChI=1S/C18H24ClN3O/c1-13(2)17-8-5-15(9-14-3-6-16(19)7-4-14)18(17,23)10-22-12-20-11-21-22/h3-4,6-7,11-13,15,17,23H,5,8-10H2,1-2H3
FORMULA
C18H24ClN3O
Common name
ipconazole
IUPAC name
2-[(4-chlorophenyl)methyl]-5-(1-methylethyl)-1-(1H-1,2,4-triazol-1-ylmethyl)cyclopentanol
Molecular weight
333.856
clogP
3.425
clogS
-4.206
HBond Acceptor
3
HBond Donor
1
Total Polar Surface Area
50.94
Number of Rings
3
Rotatable Bond
5
| Drug ID | Common name | Structure CAS | SMILE | Frequency |
|---|---|---|---|---|
| FDBF00007 | propane |
|
C(C)C | 0.2412 |
| FDBF00016 | chlorobenzene |
|
c1ccc(cc1)Cl | 0.0718 |
| FDBF00205 | 1-chloro-4-methyl-benzene |
|
Cc1ccc(cc1)Cl | 0.0113 |
| FDBF02221 | 1-methylcyclopentanol |
|
CC1(CCCC1)O | 0.0007 |
| FDBF07228 | (1S,2R)-2-propan-2-ylcyclopentan-1-ol |
|
[C@H]1([C@H](CCC1)O)C(C)C | 0.0003 |
| FDBF07229 | (1R,2R)-2-methylcyclopentan-1-ol |
|
C1[C@H]([C@@H](CC1)C)O | 0.0003 |
| FDBF07231 | (1S,2R,5R)-2-methyl-5-propan-2-ylcyclopentan-1-ol |
|
[C@H]1([C@H]([C@@H](CC1)C)O)C(C)C | 0.0003 |
17 ,
2
