5-Nitro-2-(3-pyridinyl)-1H-benzimidazole

C₁₂H₈N₄O₂CAS 145861-59-2240.22 g/mol

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Properties

Molecular formula: C₁₂H₈N₄O₂
Molar mass: 240.22 g/mol
Exact mass: 240.0647 Da
logP: 2.53Crippen estimate
Polar surface area: 84.7 Å²
H-bond donors / acceptors: 1 / 4
Rotatable bonds: 2

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

145861-59-2

SMILES

C1=CC(=CN=C1)C2=NC3=C(N2)C=C(C=C3)[N+](=O)[O-]

InChIKey

IIIXDDOCSBCSNQ-UHFFFAOYSA-N

InChI

InChI=1S/C12H8N4O2/c17-16(18)9-3-4-10-11(6-9)15-12(14-10)8-2-1-5-13-7-8/h1-7H,(H,14,15)

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Names and synonyms

1 names

6-Nitro-2-(pyridin-3-yl)-1H-benzimidazole

Work with 5-Nitro-2-(3-pyridinyl)-1H-benzimidazole

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2-Mercapto-5-nitrobenzimidazole6325-91-360 % similar 1,3-Dihydro-5-nitro-2H-benzimidazol-2-one93-84-557 % similar 6-Nitro-2-(trifluoromethyl)-1H-benzimidazole327-19-553 % similar 3-Nitropyridine2530-26-950 % similar 5-Nitrobenzotriazole2338-12-747 % similar 6-Nitroquinoline613-50-347 % similar 5-Nitrobenzimidazole94-52-047 % similar 2-(2-Methyl-5-nitroanilino)-4-(3-pyridyl)pyrimidine152460-09-846 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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