Common name
2-propyl-1H-imidazole
IUPAC name
2-propyl-1H-imidazole
SMILES
C(Cc1[nH]ccn1)C
Common name
2-propyl-1H-imidazole
IUPAC name
2-propyl-1H-imidazole
SMILES
C(Cc1[nH]ccn1)C
INCHI
InChI=1S/C6H10N2/c1-2-3-6-7-4-5-8-6/h4-5H,2-3H2,1H3,(H,7,8)
FORMULA
C6H10N2
Common name
2-propyl-1H-imidazole
IUPAC name
2-propyl-1H-imidazole
Molecular weight
110.157
clogP
1.994
clogS
-2.066
Frequency
0.0003
HBond Acceptor
1
HBond Donor
1
Total PolarSurface Area
28.68
Number of Rings
1
Rotatable Bond
2
1 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1tcw_ligand_2_77.mol2 | 1tcw | 1 | -6.33 | C(c1[nH+]cc[nH]1)C(C)C | 9 |
| 1bdr_ligand_2_77.mol2 | 1bdr | 1 | -6.32 | c1([nH+]cc[nH]1)CC(C)C | 9 |
| 1sbg_ligand_2_77.mol2 | 1sbg | 1 | -6.29 | C(c1[nH+]cc[nH]1)C(C)C | 9 |
| 1tcx_ligand_2_77.mol2 | 1tcx | 1 | -6.26 | C(C(C)C)c1[nH+]cc[nH]1 | 9 |
| 1bdl_ligand_2_77.mol2 | 1bdl | 1 | -6.20 | C(c1[nH+]cc[nH]1)C(C)C | 9 |
| 1bdq_ligand_2_77.mol2 | 1bdq | 1 | -6.20 | C(C)(C)Cc1[nH+]cc[nH]1 | 9 |
| 4yqh_ligand_2_3.mol2 | 4yqh | 0.84 | -6.01 | C(C)c1[nH+]cc[nH]1 | 7 |
| 2vev_ligand_2_16.mol2 | 2vev | 0.84 | -5.49 | C(C)c1[nH+]cc[nH]1 | 7 |
168 ,
17
