2-Guanidinobenzimidazole

C8H9N5CAS 5418-95-1175.20 g/mol

Open in Covalent MOL file
NHH2NNHNNH
Guanidine

Properties

Molecular formula
C8H9N5
Molar mass
175.20 g/mol
Exact mass
175.0858 Da
Melting point
245 °C (decomposes)
logP
0.87Crippen estimate
Polar surface area
90.6 Ų
H-bond donors / acceptors
4 / 2
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from the 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
5418-95-1
SMILES
N=C(N)Nc1nc2ccccc2[nH]1
InChIKey
JJWCTKUQWXYIIU-UHFFFAOYSA-N
InChI
InChI=1S/C8H9N5/c9-7(10)13-8-11-5-3-1-2-4-6(5)12-8/h1-4H,(H5,9,10,11,12,13)

Weigh it out

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

Names and synonyms

12 names
  • Guanidine, N-1H-benzimidazol-2-yl-
  • Guanidine, (2-benzimidazolyl)-
  • Guanidine, 1H-benzimidazol-2-yl-
  • N-1H-Benzimidazol-2-ylguanidine
  • 2-Benzimidazolylguanidine
  • NSC 10548
  • (1H-Benzimidazol-2-yl)guanidine
  • 1-(1H-1,3-Benzimidazol-2-yl)guanidine
  • 1-(1H-1,3-Benzodiazol-2-yl)guanidine
  • 1-(1H-Benzo[d]imidazol-2-yl)guanidine
  • 1-(1H-Benzimidazol-2-yl)guanidine
  • 2-(1H-Benzimidazol-2-yl)guanidine

Work with 2-Guanidinobenzimidazole

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

2,6-Bis(2-benzimidazolyl)pyridine28020-73-743 % similar 2-Phenylbenzimidazole716-79-041 % similar 2-(2′-Pyridyl)benzimidazole1137-68-440 % similar 2-(Methylthio)benzimidazole7152-24-140 % similar 2-Chlorobenzimidazole4857-06-139 % similar 2-Bromo-1H-benzimidazole54624-57-639 % similar Mercaptobenzimidazole583-39-139 % similar 2-Methylbenzimidazole615-15-639 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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