IUPAC name
2-(2-ethoxyethoxy)ethyl N-1H-benzimidazol-2-ylcarbamate
SMILES
CCOCCOCCOC(=O)Nc1[nH]c2ccccc2n1
Compound class
Fungicide
Therapeutic area
Fungicide
Common name
debacarb
IUPAC name
2-(2-ethoxyethoxy)ethyl N-1H-benzimidazol-2-ylcarbamate
SMILES
CCOCCOCCOC(=O)Nc1[nH]c2ccccc2n1
INCHI
InChI=1S/C14H19N3O4/c1-2-19-7-8-20-9-10-21-14(18)17-13-15-11-5-3-4-6-12(11)16-13/h3-6H,2,7-10H2,1H3,(H2,15,16,17,18)
FORMULA
C14H19N3O4
Common name
debacarb
IUPAC name
2-(2-ethoxyethoxy)ethyl N-1H-benzimidazol-2-ylcarbamate
Molecular weight
293.318
clogP
2.458
clogS
-3.449
HBond Acceptor
6
HBond Donor
2
Total Polar Surface Area
88.96
Number of Rings
2
Rotatable Bond
9
| Drug ID | Common name | Structure CAS | SMILE | Frequency |
|---|---|---|---|---|
| FDBF00041 | ethanol |
|
CCO | 0.1474 |
| FDBF00065 | ethylene glycol |
|
C(O)CO | 0.0265 |
| FDBF00158 | methoxymethane |
|
COC | 0.0374 |
| FDBF00168 | methoxyethane |
|
CCOC | 0.0254 |
| FDBF00603 | ethoxyethane |
|
O(CC)CC | 0.0058 |
| FDBF00692 | methyl carbamate |
|
O(C(=O)N)C | 0.0117 |
| FDBF00805 | 2-methoxyethanol |
|
C(OC)CO | 0.0072 |
| FDBF00906 | ethyl carbamate |
|
CCOC(=O)N | 0.0055 |
| FDBF01249 | 2-ethoxyethanol |
|
CCOCCO | 0.0024 |
10 ,
2
