| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 7th, 2004 | 13 | No |
Popular Name: 1-methyl-5-nitro-1H-1,3-benzimidazole 1-methyl-5-nitro-1H-1,3-benzimid…
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CAS Numbers: 5381-78-2 , [5381-78-2]
1-methyl-5-nitro-1H-benzimidazole
1-Methyl-5-nitro-1H-benzo[d]imidazole
1-N-Methyl-5-nitroindazole; CCRIS 3241; LS-188351; NSC 57671
1H-Benzimidazole, 1-methyl-5-nitro-
1H-Benzimidazole, 1-methyl-5-nitro- (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) | 1.43 | 6.51 | -12.03 | 0 | 5 | 0 | 64 | 177.163 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| melting_point | 210 - 212 | KeyOrganics |
| MP | 210-212° | Matrix Scientific |
| Purity | >95% | Matrix Scientific |
| Warnings | IRRITANT | Matrix Scientific |
No pre-computed analogs available. Try a structural similarity search.