2-Amino-5,6-dimethylbenzimidazole

C9H11N3CAS 29096-75-1161.21 g/mol

Open in Covalent MOL file
NHNHNH

Properties

Molecular formula
C9H11N3
Molar mass
161.21 g/mol
Exact mass
161.0953 Da
Melting point
195–199 °C
logP
1.59Crippen estimate
Polar surface area
55.4 Ų
H-bond donors / acceptors
3 / 1
Rotatable bonds
0

Hazards

Warning
Irritant (GHS07)

Aggregated from 39 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

Identifiers

CAS number
29096-75-1
SMILES
Cc1cc2[nH]c(=N)[nH]c2cc1C
InChIKey
YPFQISHSXCFZMU-UHFFFAOYSA-N
InChI
InChI=1S/C9H11N3/c1-5-3-7-8(4-6(5)2)12-9(10)11-7/h3-4H,1-2H3,(H3,10,11,12)

Weigh it out

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

Names and synonyms

7 names
  • 1H-Benzimidazol-2-amine, 5,6-dimethyl-
  • Benzimidazole, 2-amino-5,6-dimethyl-
  • 5,6-Dimethyl-1H-benzimidazol-2-amine
  • 5,6-Dimethyl-2-aminobenzimidazole
  • NSC 208659
  • 5,6-Dimethyl-1H-benzo[d]imidazol-2-amine
  • 5,6-Dimethylbenzimidazol-2-ylamine

Work with 2-Amino-5,6-dimethylbenzimidazole

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

5,6-Dimethyl-2-benzothiazolamine29927-08-048 % similar 2-Aminobenzimidazole934-32-746 % similar 2-Amino-5-chlorobenzimidazole5418-93-945 % similar Melamine108-78-140 % similar 2,5,6-Trimethylbenzimidazole3363-56-240 % similar 6-Bromo-5-methyl-2-pyridinamine89466-17-140 % similar Durene95-93-240 % similar 2-Amino-5-nitrobenzimidazole6232-92-438 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1,3,6-Hexanetricarbonitrile1772-25-4 (1-Methyl-1H-benzimidazol-2-yl)methylamine20028-40-4 3-Amino-1-phenyl-2-pyrazoline3314-35-0 2,3-Dimethyl-2H-indazol-6-amine444731-72-0

Elsewhere

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