| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 23rd, 2004 | 13 | Yes |
Popular Name: 2-(1-methyl-1H-benzo[d]imidazol-2-yl)acetonitrile 2-(1-methyl-1H-benzo[d]imidazol-…
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CAS Numbers: 2735-62-8 , 476279-53-5
(1-Methyl-1H-benzoimidazol-2-yl)-acetonitrile
1H-Benzimidazole-2-acetonitrile, 1-methyl- (9CI)
Acetonitrile, (1,3-dihydro-1-methyl-2H-benzimidazol-2-ylidene)- (9CI)
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | 1.57 | 5.96 | -13.52 | 0 | 3 | 0 | 42 | 171.203 | 1 | ↓ |
| Mid Mid (pH 6-8) | 1.63 | 5.82 | -8.06 | 1 | 3 | 0 | 45 | 171.203 | 0 | ↓ |
| Lo Low (pH 4.5-6) | 1.57 | 6.38 | -37.26 | 1 | 3 | 1 | 43 | 172.211 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 129 - 131 | Enamine Building Blocks |
| MP | 129...131 | Enamine Building Blocks |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
No pre-computed analogs available. Try a structural similarity search.