1H-Benzimidazole-2-carboxaldehyde

C8H6N2OCAS 3314-30-5146.15 g/mol

Open in Covalent MOL file
ONNH
Aldehyde

Properties

Molecular formula
C8H6N2O
Molar mass
146.15 g/mol
Exact mass
146.0480 Da
Melting point
235 °C (decomposes)
logP
1.38Crippen estimate
Polar surface area
45.8 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 44 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
3314-30-5
SMILES
O=Cc1nc2ccccc2[nH]1
InChIKey
DQOSJWYZDQIMGM-UHFFFAOYSA-N
InChI
InChI=1S/C8H6N2O/c11-5-8-9-6-3-1-2-4-7(6)10-8/h1-5H,(H,9,10)

Weigh it out

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Names and synonyms

8 names
  • 2-Benzimidazolecarboxaldehyde
  • Benzimidazole-2-carbaldehyde
  • 2-Formylbenzimidazole
  • 2-Benzimidazolylformaldehyde
  • NSC 26309
  • NSC 405912
  • 1H-Benzimidazole-2-carbaldehyde
  • 1H-1,3-Benzodiazole-2-carbaldehyde

Work with 1H-Benzimidazole-2-carboxaldehyde

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-Phenylbenzimidazole716-79-048 % similar 2,6-Bis(2-benzimidazolyl)pyridine28020-73-747 % similar 2-Chlorobenzimidazole4857-06-147 % similar 2-Bromo-1H-benzimidazole54624-57-647 % similar Mercaptobenzimidazole583-39-147 % similar 2-Methylbenzimidazole615-15-647 % similar 2-Benzimidazolinone615-16-747 % similar 1H-Benzimidazole-2-acetonitrile4414-88-446 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Imidazo[1,2-A]pyridine-6-carbaldehyde116355-16-9 Imidazo(1,2-a)pyridine-2-carbaldehyde118000-43-4 1(2H)-Phthalazinone119-39-1 2(1H)-Quinoxalinone1196-57-2 2-Cyanobenzamide17174-98-0 1H-Indazole-5-carboxaldehyde253801-04-6 1H-Pyrrolo(2,3-c)pyridine-3-carbaldehyde25957-65-7 1H-Pyrrolo[3,2-B]pyridine-3-carboxaldehyde (9ci)276862-85-2

Elsewhere

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