Common name
N-propylbenzimidazole-1-carboxamide
IUPAC name
N-propylbenzimidazole-1-carboxamide
SMILES
c1nc2c(n1C(=O)NCCC)cccc2
Common name
N-propylbenzimidazole-1-carboxamide
IUPAC name
N-propylbenzimidazole-1-carboxamide
SMILES
c1nc2c(n1C(=O)NCCC)cccc2
INCHI
InChI=1S/C11H13N3O/c1-2-7-12-11(15)14-8-13-9-5-3-4-6-10(9)14/h3-6,8H,2,7H2,1H3,(H,12,15)/p+1
FORMULA
C11H13N3O
Common name
N-propylbenzimidazole-1-carboxamide
IUPAC name
N-propylbenzimidazole-1-carboxamide
Molecular weight
100.159
clogP
1.330
clogS
-0.666
Frequency
0.0007
HBond Acceptor
1
HBond Donor
1
Total PolarSurface Area
20.23
Number of Rings
1
Rotatable Bond
2
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD03008 | benomyl |
|
Fungicide | Fungicide |
| FDBD03011 | cypendazole |
|
Fungicide | Fungicide |
2 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1h37_ligand_3_88.mol2 | 1h37 | 1 | -6.03 | C[C@@H]1[C@H](C1)CO | 6 |
| 4b5d_ligand_2_0.mol2 | 4b5d | 1 | -5.88 | C(CO)C1CC1 | 6 |
| 3e8n_ligand_2_25.mol2 | 3e8n | 1 | -5.63 | C(O)CC1CC1 | 6 |
| 3d91_ligand_2_117.mol2 | 3d91 | 0.909091 | -5.94 | C1(CC1)[C@H](O)CO | 7 |
| 1fbm_ligand_4_14.mol2 | 1fbm | 0.9 | -6.40 | C(O)C[C@@H](C)CC | 7 |
| 2p4j_ligand_3_342.mol2 | 2p4j | 0.9 | -6.39 | C(C(C)C)CCO | 7 |
| 4trw_ligand_3_934.mol2 | 4trw | 0.9 | -6.36 | C(O)CCC(C)C | 7 |
| 4f7n_ligand_4_20.mol2 | 4f7n | 0.9 | -6.35 | C(O)CCCC | 6 |
143 ,
15
