| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 25th, 2007 | 13 | No |
Popular Name: 2-chloro-5-nitro-1H-benzo[d]imidazole 2-chloro-5-nitro-1H-benzo[d]imid…
Find On: PubMed — Wikipedia — Google
CAS Numbers: 5955-72-6 , 89843-48-1 , [5955-72-6]
1H-Benzimidazole, 2-chloro-5-nitro- (9CI)
1H-Benzimidazole, 2-chloro-6-nitro-
1H-Benzimidazole, 2-chloro-6-nitro- (9CI)
2-chloro-5-nitro-1H-1,3-benzimidazole
2-chloro-5-nitro-1H-1,3-benzodiazole
2-Chloro-5-nitro-1H-benzimidazole
| 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) | 2.36 | 4.16 | -28.1 | 0 | 5 | -1 | 73 | 196.573 | 1 | ↓ |
| Ref Reference (pH 7) | 2.36 | 4.61 | -6.22 | 1 | 5 | 0 | 75 | 197.581 | 1 | ↓ |
| Mid Mid (pH 6-8) | 2.36 | 4.17 | -28.26 | 0 | 5 | -1 | 73 | 196.573 | 1 | ↓ |
| Mid Mid (pH 6-8) | 2.36 | 4.6 | -8.7 | 1 | 5 | 0 | 75 | 197.581 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 213 - 215 | Enamine Building Blocks |
| MP | 213...215 | Enamine Building Blocks |
| melting_point | 225 - 227 | KeyOrganics |
| MP | 225-227° | Matrix Scientific |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 95% | Fluorochem |
| Purity | >95% | Matrix Scientific |
| Warnings | IRRITANT | Matrix Scientific |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50530-3-O | Human Herpesvirus 5 (cluster #3 Of 5), Other | Other | 6000 | 0.56 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50530 | Z50530 | Human Herpesvirus 5 | 6000 | 0.56 | Functional ≤ 10μM |
No pre-computed analogs available. Try a structural similarity search.