2-(4-Pyridyl)benzimidazole

C₁₂H₉N₃CAS 2208-59-5195.23 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₂H₉N₃
Molar mass: 195.23 g/mol
Exact mass: 195.0796 Da
logP: 2.62Crippen estimate
Polar surface area: 41.6 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 1

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation83.3% of notifiers

Aggregated from 6 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

2208-59-5

SMILES

C1=CC=C2C(=C1)NC(=N2)C3=CC=NC=C3

InChIKey

UYWWLYCGNNCLKE-UHFFFAOYSA-N

InChI

InChI=1S/C12H9N3/c1-2-4-11-10(3-1)14-12(15-11)9-5-7-13-8-6-9/h1-8H,(H,14,15)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

1 names

2-(Pyridin-4-yl)-1H-1,3-benzodiazole

Work with 2-(4-Pyridyl)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-Phenylbenzimidazole716-79-073 % similar 2-(4-Bromophenyl)-1H-benzimidazole2622-74-461 % similar 2,6-Bis(2-benzimidazolyl)pyridine28020-73-753 % similar Mercaptobenzimidazole583-39-153 % similar 2-Chlorobenzimidazole4857-06-148 % similar 2-Bromo-1H-benzimidazole54624-57-648 % similar 2-Methylbenzimidazole615-15-648 % similar 2-Benzimidazolinone615-16-748 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-(2′-Pyridyl)benzimidazole1137-68-4

Elsewhere

PubChem CAS Common Chemistry NIST WebBook