Common name
2-ethyl-1-methyl-benzimidazole
IUPAC name
2-ethyl-1-methyl-benzimidazole
SMILES
n1(c2c(nc1CC)cccc2)C
Common name
2-ethyl-1-methyl-benzimidazole
IUPAC name
2-ethyl-1-methyl-benzimidazole
SMILES
n1(c2c(nc1CC)cccc2)C
INCHI
InChI=1S/C10H12N2/c1-3-10-11-8-6-4-5-7-9(8)12(10)2/h4-7H,3H2,1-2H3
FORMULA
C10H12N2
Common name
2-ethyl-1-methyl-benzimidazole
IUPAC name
2-ethyl-1-methyl-benzimidazole
Molecular weight
161.224
clogP
1.073
clogS
-2.652
Frequency
0.0003
HBond Acceptor
0
HBond Donor
1
Total PolarSurface Area
19.67
Number of Rings
2
Rotatable Bond
1
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD01471 | Bendamustine |
|
Antineoplastic Agents; Antineoplastic Agents, Alkylating; Alkylating Agents; Antineoplastic and Immunomodulating Agents; Nitrogen Mustard Analogues; | Bendamustine is indicated for treatment of chronic lymphocytic leukemia (CLL). |
1 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1ndz_ligand_2_35.mol2 | 1ndz | 1 | -7.03 | CCc1[n+](c2c(cccc2)[nH]1)C | 12 |
| 1ndz_ligand_1_8.mol2 | 1ndz | 0.888889 | -6.92 | c1cc2c(cc1)[n+](c([nH]2)C)C | 11 |
| 1g2m_ligand_1_4.mol2 | 1g2m | 0.888889 | -6.72 | [n+]1(c([nH]c2c1cccc2)C)C | 11 |
| 1g30_ligand_1_2.mol2 | 1g30 | 0.888889 | -6.66 | [nH]1c2c([n+](c1C)C)cccc2 | 11 |
| 1g32_ligand_1_2.mol2 | 1g32 | 0.888889 | -6.66 | [nH]1c2c([n+](c1C)C)cccc2 | 11 |
| 4jn2_ligand_1_2.mol2 | 4jn2 | 0.888889 | -6.65 | Cc1[nH]c2ccccc2[n+]1C | 11 |
| 1ktt_ligand_1_1.mol2 | 1ktt | 0.888889 | -6.56 | Cc1[n+](c2c([nH]1)cccc2)C | 11 |
| 1g2m_ligand_1_2.mol2 | 1g2m | 0.888889 | -6.44 | [nH]1c([n+](c2c1cccc2)C)C | 11 |
| 1g32_ligand_1_4.mol2 | 1g32 | 0.888889 | -6.38 | [n+]1(c([nH]c2c1cccc2)C)C | 11 |
105 ,
11
