chempirical

1-(1H-Benzimidazol-2-yl)ethanone

C9H8N2OCAS 939-70-8160.18 g/mol

Open in Covalent MOL file
ONNH
Ketone

Properties

Molecular formula
C9H8N2O
Molar mass
160.18 g/mol
Exact mass
160.0637 Da
logP
1.77Crippen estimate
Polar surface area
45.8 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
1

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
939-70-8
SMILES
CC(=O)C1=NC2=CC=CC=C2N1
InChIKey
UYFMRVDIXXOWLR-UHFFFAOYSA-N
InChI
InChI=1S/C9H8N2O/c1-6(12)9-10-7-4-2-3-5-8(7)11-9/h2-5H,1H3,(H,10,11)

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Names and synonyms

1 names
  • 2-Acetylbenzimidazole

Work with 1-(1H-Benzimidazol-2-yl)ethanone

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

1H-Benzimidazole-2-carboxylic acid2849-93-660 % similar 1H-Benzoimidazole-2-carboxylic acid ethyl ester1865-09-455 % similar 2-Acetylbenzothiazole1629-78-347 % similar 2-Chlorobenzimidazole4857-06-147 % similar 2-Methylbenzimidazole615-15-647 % similar 1-(2-Quinoxalinyl)ethanone25594-62-145 % similar 3-Acetylindole703-80-045 % similar 2-Ethylbenzimidazole1848-84-644 % 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 1-Methyl-2-formylbenzimidazole3012-80-4 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

Elsewhere

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