IUPAC name
2-heptadecyl-4,5-dihydro-1H-imidazoline monoacetate
SMILES
CCCCCCCCCCCCCCCCCC1=NCCN1.CC(=O)O
Compound class
Fungicide
Therapeutic area
Fungicide
Common name
glyodin
IUPAC name
2-heptadecyl-4,5-dihydro-1H-imidazoline monoacetate
SMILES
CCCCCCCCCCCCCCCCCC1=NCCN1.CC(=O)O
INCHI
InChI=1S/C20H40N2.C2H4O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-21-18-19-22-20;1-2(3)4/h2-19H2,1H3,(H,21,22);1H3,(H,3,4)
FORMULA
C22H44N2O2
Common name
glyodin
IUPAC name
2-heptadecyl-4,5-dihydro-1H-imidazoline monoacetate
Molecular weight
308.545
clogP
7.453
clogS
-7.644
HBond Acceptor
1
HBond Donor
1
Total Polar Surface Area
24.39
Number of Rings
1
Rotatable Bond
16
| Drug ID | Common name | Structure CAS | SMILE | Frequency |
|---|---|---|---|---|
| FDBF00007 | propane |
|
C(C)C | 0.2412 |
| FDBF00011 | imidazole |
|
[nH]1ccnc1 | 0.0175 |
| FDBF00067 | butane |
|
CCCC | 0.0680 |
| FDBF00081 | pentane |
|
CCCCC | 0.0316 |
| FDBF00086 | hexane |
|
CCCCCC | 0.0151 |
| FDBF01611 | 2-methyl-1H-imidazole |
|
Cc1[nH]ccn1 | 0.0038 |
| FDBF01961 | 2-ethyl-1H-imidazole |
|
CCc1[nH]ccn1 | 0.0017 |
| FDBF01964 | 2-butyl-1H-imidazole |
|
C(C)CCc1[nH]ccn1 | 0.0007 |
| FDBF07188 | 2-propyl-1H-imidazole |
|
C(Cc1[nH]ccn1)C | 0.0003 |
9 ,
1
