Common name
N-methylimidazole-1-carboxamide
IUPAC name
N-methylimidazole-1-carboxamide
SMILES
CNC(=O)N1C=NC=C1
Common name
N-methylimidazole-1-carboxamide
IUPAC name
N-methylimidazole-1-carboxamide
SMILES
CNC(=O)N1C=NC=C1
INCHI
InChI=1S/C5H7N3O/c1-6-5(9)8-3-2-7-4-8/h2-4H,1H3,(H,6,9)/p+1
FORMULA
C5H7N3O
Common name
N-methylimidazole-1-carboxamide
IUPAC name
N-methylimidazole-1-carboxamide
Molecular weight
125.129
clogP
-0.564
clogS
-0.300
Frequency
0.0007
HBond Acceptor
2
HBond Donor
1
Total PolarSurface Area
46.92
Number of Rings
1
Rotatable Bond
1
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD02923 | pefurazoate |
|
Fungicide | Fungicide |
| FDBD03046 | prochloraz |
|
Fungicide | Fungicide |
2 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4fbe_ligand_1_3.mol2 | 4fbe | 0.431818 | -5.92 | c1c[n+](c[nH]1)C | 6 |
| 4f9u_ligand_1_3.mol2 | 4f9u | 0.431818 | -5.89 | c1c[n+](c[nH]1)C | 6 |
| 4mhy_ligand_1_3.mol2 | 4mhy | 0.431818 | -5.88 | c1c[n+](c[nH]1)C | 6 |
| 4fai_ligand_1_3.mol2 | 4fai | 0.431818 | -5.86 | C[n+]1cc[nH]c1 | 6 |
| 4f9v_ligand_1_3.mol2 | 4f9v | 0.431818 | -5.82 | C[n+]1cc[nH]c1 | 6 |
| 4mhz_ligand_1_3.mol2 | 4mhz | 0.431818 | -5.79 | C[n+]1cc[nH]c1 | 6 |
| 2afx_ligand_1_0.mol2 | 2afx | 0.431818 | -5.78 | C[n+]1cc[nH]c1 | 6 |
112 ,
12
