chempirical

1-Methyl-2-formylbenzimidazole

C9H8N2OCAS 3012-80-4160.18 g/mol

Open in Covalent MOL file
NON
Aldehyde

Properties

Molecular formula
C9H8N2O
Molar mass
160.18 g/mol
Exact mass
160.0637 Da
Melting point
121 °C
logP
1.39Crippen estimate
Polar surface area
34.9 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
1

Hazards

Danger
Acute Toxic (GHS06)Irritant (GHS07)

Aggregated from 9 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P316, 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
3012-80-4
SMILES
Cn1c(C=O)nc2ccccc21
InChIKey
SIRPHJCQZYVEES-UHFFFAOYSA-N
InChI
InChI=1S/C9H8N2O/c1-11-8-5-3-2-4-7(8)10-9(11)6-12/h2-6H,1H3

Weigh it out

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

Names and synonyms

13 names · show all
  • 1H-Benzimidazole-2-carboxaldehyde, 1-methyl-
  • 2-Benzimidazolecarboxaldehyde, 1-methyl-
  • 1-Methyl-1H-benzimidazole-2-carboxaldehyde
  • 1-Methyl-2-benzimidazolecarboxaldehyde
  • 2-Formyl-1-methylbenzimidazole
  • 1-Methyl-1H-benzimidazol-2-carboxaldehyde
  • 1-Methyl-1H-benzo[d]imidazole-2-carboxaldehyde
  • N-Methylbenzimidazole-2-carboxaldehyde
  • 1-Methyl-2-formyl-1H-benzimidazole
  • 1-Methyl-1H-benzo[d]imidazole-2-carbaldehyde
  • 1-Methylbenzimidazole-2-carbaldehyde
  • 1-Methyl-1H-1,3-benzodiazole-2-carbaldehyde
  • 1-Methyl-1H-benzimidazole-2-carbaldehyde

Work with 1-Methyl-2-formylbenzimidazole

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

(1-Methyl-1H-benzimidazol-2-yl)methylamine20028-40-447 % similar Pyocyanin85-66-546 % similar 1,2-Dimethyl-1H-indole-3-carboxaldehyde38292-40-944 % similar 1-Methyl-2-phenyl-1H-indole-3-carboxaldehyde1757-72-840 % similar 1-Methylindole-3-carboxaldehyde19012-03-438 % similar Quinoxaline-2-carbaldehyde1593-08-437 % similar 2-Quinolinecarboxaldehyde5470-96-237 % similar N-Methylcarbazole1484-12-436 % similar

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

Same formula

4-(1H-Imidazol-1-yl)phenol10041-02-8 4-(Oxazol-5-yl)aniline1008-95-3 5-Methyl-3-phenyl-1,2,4-oxadiazole1198-98-7 N-(4-Cyanophenyl)acetamide35704-19-9 1-Methyl-1H-indazole-3-carboxaldehyde4002-83-9 2-Amino-4-hydroxyquinoline42712-64-1 5-Amino-3-phenylisoxazole4369-55-5 2-Amino-8-hydroxyquinoline70125-16-5

Elsewhere

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