1H-Benzimidazole-6-carboxaldehyde

C₈H₆N₂OCAS 58442-17-4146.15 g/mol

Open in Covalent MOL file

Aldehyde

Properties

Molecular formula: C₈H₆N₂O
Molar mass: 146.15 g/mol
Exact mass: 146.0480 Da
Melting point: 163–165 °C
logP: 1.38Crippen estimate
Polar surface area: 45.8 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 1

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H312 Harmful in contact with skin100% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 2 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, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

58442-17-4

SMILES

O=Cc1ccc2nc[nH]c2c1

InChIKey

ALCHVVTYAHQOFY-UHFFFAOYSA-N

InChI

InChI=1S/C8H6N2O/c11-4-6-1-2-7-8(3-6)10-5-9-7/h1-5H,(H,9,10)

Weigh it out

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

Names and synonyms

6 names

1H-Benzimidazole-5-carboxaldehyde
Benzimidazole-6-carboxaldehyde
Benzimidazole-5-carboxaldehyde
1H-Benzo[d]imidazole-5-carbaldehyde
1H-1,3-Benzodiazole-6-carbaldehyde
1H-1,3-Benzodiazole-5-carbaldehyde

Work with 1H-Benzimidazole-6-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

Quinoxaline-6-carbaldehyde130345-50-552 % similar 5-Chlorobenzimidazole4887-82-550 % similar 6-Bromo-1H-benzimidazole4887-88-150 % similar 5-Methylbenzimidazole614-97-150 % similar 2,1,3-Benzothiadiazole-5-carbaldehyde71605-72-650 % similar 5-Aminobenzimidazole934-22-550 % similar Indole-6-carboxaldehyde1196-70-949 % similar 1H-Benzimidazole-5-carboxylic acid15788-16-646 % 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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