Common name
N-ethyl-1H-benzo[d]imidazole-1-carboxamide
IUPAC name
N-ethyl-1H-benzo[d]imidazole-1-carboxamide
SMILES
c1n(c2c(n1)cccc2)C(=O)NCC
Common name
N-ethyl-1H-benzo[d]imidazole-1-carboxamide
IUPAC name
N-ethyl-1H-benzo[d]imidazole-1-carboxamide
SMILES
c1n(c2c(n1)cccc2)C(=O)NCC
INCHI
InChI=1S/C10H11N3O/c1-2-11-10(14)13-7-12-8-5-3-4-6-9(8)13/h3-7H,2H2,1H3,(H,11,14)
FORMULA
C10H11N3O
Common name
N-ethyl-1H-benzo[d]imidazole-1-carboxamide
IUPAC name
N-ethyl-1H-benzo[d]imidazole-1-carboxamide
Molecular weight
189.214
clogP
0.808
clogS
-2.123
Frequency
0.0010
HBond Acceptor
2
HBond Donor
1
Total PolarSurface Area
46.92
Number of Rings
2
Rotatable Bond
2
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD03008 | benomyl |
|
Fungicide | Fungicide |
| FDBD03011 | cypendazole |
|
Fungicide | Fungicide |
| FDBD03014 | mecarbinzid |
|
Fungicide | Fungicide |
3 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 5ct7_ligand_frag_0.mol2 | 5ct7 | 0.541667 | -6.98 | c12c(cccc1)[n+](c[nH]2)C | 10 |
| 4jvb_ligand_1_1.mol2 | 4jvb | 0.541667 | -6.75 | [n+]1(c2ccccc2[nH]c1)C | 10 |
| 4n9e_ligand_1_2.mol2 | 4n9e | 0.541667 | -6.73 | C[n+]1c[nH]c2c1cccc2 | 10 |
| 4jv6_ligand_1_1.mol2 | 4jv6 | 0.541667 | -6.66 | [n+]1(c2ccccc2[nH]c1)C | 10 |
| 1ndz_ligand_frag_9.mol2 | 1ndz | 0.541667 | -6.61 | c1cc2c(cc1)[n+](c[nH]2)C | 10 |
| 3jzf_ligand_1_1.mol2 | 3jzf | 0.541667 | -6.60 | C[n+]1c2ccccc2[nH]c1 | 10 |
| 4jvb_ligand_1_7.mol2 | 4jvb | 0.541667 | -6.59 | [n+]1(c2ccccc2[nH]c1)C | 10 |
100 ,
11
