chempirical

1-Methyl-1H-benzimidazol-2-amine

C8H9N3CAS 1622-57-7147.18 g/mol

Open in Covalent MOL file
NHNHN

Properties

Molecular formula
C8H9N3
Molar mass
147.18 g/mol
Exact mass
147.0796 Da
Melting point
201–202 °C
logP
0.99Crippen estimate
Polar surface area
44.6 Ų
H-bond donors / acceptors
2 / 1
Rotatable bonds
0

Identifiers

CAS number
1622-57-7
SMILES
Cn1c(=N)[nH]c2ccccc21
InChIKey
XDFZKQJLNGNJAN-UHFFFAOYSA-N
InChI
InChI=1S/C8H9N3/c1-11-7-5-3-2-4-6(7)10-8(11)9/h2-5H,1H3,(H2,9,10)

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

Names and synonyms

10 names
  • 1H-Benzimidazol-2-amine, 1-methyl-
  • Benzimidazole, 2-amino-1-methyl-
  • 2-Amino-1-methylbenzimidazole
  • 1-Methyl-2-aminobenzimidazole
  • 2-Amino-1-methyl-1H-benzimidazole
  • 1-Methyl-1H-benzo[d]imidazol-2-amine
  • 1-Methylbenzimidazol-2-amine
  • 1-Methyl-1H-benz[d]-imidazol-2-amine
  • 1-Methyl-1H-1,3-benzodiazol-2-amine
  • 1-Methyl-1H-benzoimidazol-2-ylamine

Work with 1-Methyl-1H-benzimidazol-2-amine

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-Amino-1-benzylbenzimidazole43182-10-150 % similar 2-Amino-1-methyl-6-phenylimidazo(4,5-B)pyridine105650-23-548 % similar N-Methylcarbazole1484-12-440 % similar 2-Aminobenzimidazole934-32-737 % similar N-Methylacridone719-54-034 % similar 1,2-Dimethylindole875-79-633 % similar 1-Methyl-2(1H)-quinolinone606-43-932 % similar 3-Methylbenzo[D]oxazol-2(3H)-one21892-80-832 % similar

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

Same formula

5,6-Dimethyl-1H-benzotriazole4184-79-6 1-Methyl-1H-indazol-6-amine74728-65-7 3-Methyl-1H-indazol-5-amine90764-90-2

Elsewhere

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