2,6-Bis(2-benzimidazolyl)pyridine

C₁₉H₁₃N₅CAS 28020-73-7311.35 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₉H₁₃N₅
Molar mass: 311.35 g/mol
Exact mass: 311.1171 Da
logP: 4.17Crippen estimate
Polar surface area: 70.3 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 2

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation97.5% of notifiers

Aggregated from 40 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

28020-73-7

SMILES

C1=CC=C2C(=C1)NC(=N2)C3=NC(=CC=C3)C4=NC5=CC=CC=C5N4

InChIKey

JBKICBDXAZNSKA-UHFFFAOYSA-N

InChI

InChI=1S/C19H13N5/c1-2-7-13-12(6-1)21-18(22-13)16-10-5-11-17(20-16)19-23-14-8-3-4-9-15(14)24-19/h1-11H,(H,21,22)(H,23,24)

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Names and synonyms

1 names

2,6-Bis(benzimidazol-2-yl)pyridine

Work with 2,6-Bis(2-benzimidazolyl)pyridine

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-(2′-Pyridyl)benzimidazole1137-68-468 % similar 2-Phenylbenzimidazole716-79-059 % similar 2-Chlorobenzimidazole4857-06-157 % similar Mercaptobenzimidazole583-39-157 % similar Thiabendazole148-79-856 % similar Chlorfenazole3574-96-755 % similar 2-(4-Pyridyl)benzimidazole2208-59-553 % similar 2-Bromo-1H-benzimidazole54624-57-652 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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