Common name
2-butyl-1H-imidazole
IUPAC name
2-butyl-1H-imidazole
SMILES
C(C)CCc1[nH]ccn1
Common name
2-butyl-1H-imidazole
IUPAC name
2-butyl-1H-imidazole
SMILES
C(C)CCc1[nH]ccn1
INCHI
InChI=1S/C7H12N2/c1-2-3-4-7-8-5-6-9-7/h5-6H,2-4H2,1H3,(H,8,9)
FORMULA
C7H12N2
Common name
2-butyl-1H-imidazole
IUPAC name
2-butyl-1H-imidazole
Molecular weight
124.184
clogP
2.291
clogS
-2.490
Frequency
0.0007
HBond Acceptor
1
HBond Donor
1
Total PolarSurface Area
28.68
Number of Rings
1
Rotatable Bond
3
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD00736 | Eprosartan |
|
Cardiovascular System; Angiotensin II Antagonists, Plain; Agents Acting on the Renin-Angiotensin System; Angiotensin II Antagonists and Diuretics; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP2C9 Inducers; Angiotensin II Receptor Antagonists; | For the management of hypertension alone or in combination with other classes of antihypertensive agents. Also used as a first-line agent in the treatment of diabetic nephropathy, as well as a second-line agent in the treatment of congestive heart failure (only in those intolerant of ACE inhibitors). |
| FDBD03129 | glyodin |
|
Fungicide | Fungicide |
2 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1tcw_ligand_2_77.mol2 | 1tcw | 0.892857 | -6.33 | C(c1[nH+]cc[nH]1)C(C)C | 9 |
| 1bdr_ligand_2_77.mol2 | 1bdr | 0.892857 | -6.32 | c1([nH+]cc[nH]1)CC(C)C | 9 |
| 1sbg_ligand_2_77.mol2 | 1sbg | 0.892857 | -6.29 | C(c1[nH+]cc[nH]1)C(C)C | 9 |
| 1tcx_ligand_2_77.mol2 | 1tcx | 0.892857 | -6.26 | C(C(C)C)c1[nH+]cc[nH]1 | 9 |
| 1bdl_ligand_2_77.mol2 | 1bdl | 0.892857 | -6.20 | C(c1[nH+]cc[nH]1)C(C)C | 9 |
| 1bdq_ligand_2_77.mol2 | 1bdq | 0.892857 | -6.20 | C(C)(C)Cc1[nH+]cc[nH]1 | 9 |
| 4yqh_ligand_2_3.mol2 | 4yqh | 0.75 | -6.01 | C(C)c1[nH+]cc[nH]1 | 7 |
| 2vev_ligand_2_16.mol2 | 2vev | 0.75 | -5.49 | C(C)c1[nH+]cc[nH]1 | 7 |
100 ,
11
