IUPAC name
methyl N-[1-[(butylamino)carbonyl]-1H-benzimidazol-2-yl]carbamate
SMILES
CCCCNC(=O)n1c2ccccc2nc1NC(=O)OC
Compound class
Fungicide
Therapeutic area
Fungicide
Common name
benomyl
IUPAC name
methyl N-[1-[(butylamino)carbonyl]-1H-benzimidazol-2-yl]carbamate
SMILES
CCCCNC(=O)n1c2ccccc2nc1NC(=O)OC
INCHI
IInChI=1S/C14H18N4O3/c1-3-4-9-15-13(19)18-11-8-6-5-7-10(11)16-12(18)17-14(20)21-2/h5-8H,3-4,9H2,1-2H3,(H,15,19)(H,16,17,20)
FORMULA
C14H18N4O3
Common name
benomyl
IUPAC name
methyl N-[1-[(butylamino)carbonyl]-1H-benzimidazol-2-yl]carbamate
Molecular weight
290.318
clogP
0.751
clogS
-3.204
HBond Acceptor
4
HBond Donor
2
Total Polar Surface Area
85.25
Number of Rings
2
Rotatable Bond
6
| Drug ID | Common name | Structure CAS | SMILE | Frequency |
|---|---|---|---|---|
| FDBF00007 | propane |
|
C(C)C | 0.2412 |
| FDBF00067 | butane |
|
CCCC | 0.0680 |
| FDBF00692 | methyl carbamate |
|
O(C(=O)N)C | 0.0117 |
| FDBF06747 | N-ethyl-1H-benzo[d]imidazole-1-carboxamide |
|
c1n(c2c(n1)cccc2)C(=O)NCC | 0.0010 |
| FDBF06910 | N-propylbenzimidazole-1-carboxamide |
|
c1nc2c(n1C(=O)NCCC)cccc2 | 0.0007 |
5 ,
1
