Common name
N-ethylimidazole-1-carboxamide
IUPAC name
N-ethylimidazole-1-carboxamide
SMILES
C(NC(=O)N1C=NC=C1)C
Common name
N-ethylimidazole-1-carboxamide
IUPAC name
N-ethylimidazole-1-carboxamide
SMILES
C(NC(=O)N1C=NC=C1)C
INCHI
InChI=1S/C6H9N3O/c1-2-8-6(10)9-4-3-7-5-9/h3-5H,2H2,1H3,(H,8,10)/p+1
FORMULA
C6H9N3O
Common name
N-ethylimidazole-1-carboxamide
IUPAC name
N-ethylimidazole-1-carboxamide
Molecular weight
139.155
clogP
-0.289
clogS
-0.720
Frequency
0.0003
HBond Acceptor
2
HBond Donor
1
Total PolarSurface Area
46.92
Number of Rings
1
Rotatable Bond
2
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD03046 | prochloraz |
|
Fungicide | Fungicide |
1 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 5akl_ligand_2_8.mol2 | 5akl | 0.451613 | -7.01 | CCNC(=O)n1cccc1 | 10 |
| 5akl_ligand_3_9.mol2 | 5akl | 0.439394 | -7.22 | C(C)CNC(=O)n1cccc1 | 11 |
| 4kn7_ligand_4_209.mol2 | 4kn7 | 0.424242 | -5.11 | [nH]1cc[n+](c1)CC[N@@H+]1CC[N@@H+](C)CC1 | 14 |
| 3ggv_ligand_4_2857.mol2 | 3ggv | 0.405063 | -5.69 | N(C(=O)Cn1cc[nH]c1=O)CC | 12 |
| 1yt9_ligand_5_212.mol2 | 1yt9 | 0.402439 | -5.82 | C(C(=O)NCC)n1ccn(c1=O)C | 13 |
| 3ggv_ligand_5_8338.mol2 | 3ggv | 0.402439 | -5.77 | N(C(=O)Cn1ccn(c1=O)C)CC | 13 |
| 3c1k_ligand_3_119.mol2 | 3c1k | 0.380952 | -6.91 | C(=O)(NC(C)(C)C)C[n+]1cc([nH]c1)C | 14 |
| 4fbe_ligand_1_3.mol2 | 4fbe | 0.372549 | -5.92 | c1c[n+](c[nH]1)C | 6 |
| 4f9u_ligand_1_3.mol2 | 4f9u | 0.372549 | -5.89 | c1c[n+](c[nH]1)C | 6 |
118 ,
12
