IUPAC name
N-propyl-N-[2-(2,4,6-trichlorophenoxy)ethyl]-1H-imidazole-1-carboxamide
SMILES
CCCN(CCOc1c(cc(cc1Cl)Cl)Cl)C(=O)n1ccnc1
Compound class
Fungicide
Therapeutic area
Fungicide
Common name
prochloraz
IUPAC name
N-propyl-N-[2-(2,4,6-trichlorophenoxy)ethyl]-1H-imidazole-1-carboxamide
SMILES
CCCN(CCOc1c(cc(cc1Cl)Cl)Cl)C(=O)n1ccnc1
INCHI
InChI=1S/C15H16Cl3N3O2/c1-2-4-20(15(22)21-5-3-19-10-21)6-7-23-14-12(17)8-11(16)9-13(14)18/h3,5,8-10H,2,4,6-7H2,1H3
FORMULA
C15H16Cl3N3O2
Common name
prochloraz
IUPAC name
N-propyl-N-[2-(2,4,6-trichlorophenoxy)ethyl]-1H-imidazole-1-carboxamide
Molecular weight
376.665
clogP
3.414
clogS
-4.991
HBond Acceptor
3
HBond Donor
0
Total Polar Surface Area
47.36
Number of Rings
2
Rotatable Bond
8
| Drug ID | Common name | Structure CAS | SMILE | Frequency |
|---|---|---|---|---|
| FDBF00007 | propane |
|
C(C)C | 0.2412 |
| FDBF00041 | ethanol |
|
CCO | 0.1474 |
| FDBF07389 | N-methylimidazole-1-carboxamide |
|
CNC(=O)N1C=NC=C1 | 0.0007 |
| FDBF07394 | N-propylimidazole-1-carboxamide |
|
C(CC)NC(=O)N1C=NC=C1 | 0.0007 |
| FDBF07395 | N,N-dimethylimidazole-1-carboxamide |
|
CN(C(=O)N1C=NC=C1)C | 0.0007 |
| FDBF07445 | N-ethylimidazole-1-carboxamide |
|
C(NC(=O)N1C=NC=C1)C | 0.0003 |
| FDBF07446 | N-ethyl-N-methylimidazole-1-carboxamide |
|
CN(CC)C(=O)N1C=NC=C1 | 0.0003 |
7 ,
1
