chempirical

2-(4-Aminophenyl)-5-aminobenzimidazole

C13H12N4CAS 7621-86-5224.27 g/mol

Open in Covalent MOL file
H2NNNH2NH
Primary amine

Properties

Molecular formula
C13H12N4
Molar mass
224.27 g/mol
Exact mass
224.1062 Da
Melting point
above 320 °C
logP
2.39Crippen estimate
Polar surface area
80.7 Ų
H-bond donors / acceptors
3 / 3
Rotatable bonds
1

Identifiers

CAS number
7621-86-5
SMILES
Nc1ccc(-c2nc3cc(N)ccc3[nH]2)cc1
InChIKey
XAFOTXWPFVZQAZ-UHFFFAOYSA-N
InChI
InChI=1S/C13H12N4/c14-9-3-1-8(2-4-9)13-16-11-6-5-10(15)7-12(11)17-13/h1-7H,14-15H2,(H,16,17)

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Names and synonyms

23 names · show all
  • 1H-Benzimidazol-6-amine, 2-(4-aminophenyl)-
  • Benzimidazole, 5-amino-2-(p-aminophenyl)-
  • 1H-Benzimidazol-5-amine, 2-(4-aminophenyl)-
  • Benzimidazole, 5(or 6)-amino-2-(p-aminophenyl)-
  • 2-(4-Aminophenyl)-1H-benzimidazol-6-amine
  • 5-Amino-2-(p-aminophenyl)benzimidazole
  • 5,4′-Diamino-2-phenylbenzimidazole
  • 5-Amino-2-(4-aminophenyl)benzimidazole
  • 5(6)-Amino-2-(p-aminophenyl)benzimidazole
  • 5(6)-Amino-2-(4′-aminophenyl)benzimidazole
  • NSC 408148
  • 6,4′-Diamino-2-phenylbenzimidazole
  • 5-Amino-2-(4-aminobenzene)benzimidazole
  • 5-Amino-2-(4-aminophenyl)-1H-benzimidazole
  • BIA
  • 2-(4-Aminophenyl)-1H-benzimidazol-5-amine
  • 2-(4-Aminophenyl)-1H-benzimidazole-5-amine
  • 5-Amino-2-(4-aminophenyl)benzylimidazole
  • 2-(4-Aminophenyl)-1H-1,3-benzodiazol-6-amine
  • 2-(4-Amino-phenyl)-1H-benzoimidazol-5-ylamine
  • 2-(4-Aminophenyl)-1H-1,3-benzodiazol-5-amine
  • 2-(4-Aminophenyl)-3H-benzimidazol-5-amine
  • 2-(4-Aminophenyl)-1H-benzo[d]imidazol-5-amine

Work with 2-(4-Aminophenyl)-5-aminobenzimidazole

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-Amino-2-mercaptobenzimidazole2818-66-847 % similar 5,10,15,20-Tetrakis(4-aminophenyl)porphyrin22112-84-146 % similar 3,6-Diaminocarbazole86-71-545 % similar 5-Amino-2-benzimidazolinone95-23-843 % similar 2-Phenylbenzimidazole716-79-042 % similar 1,3,5-Tri(4-aminophenyl)benzene118727-34-741 % similar Benzidine92-87-541 % similar 5-Amino-2-(trifluoromethyl)benzimidazole3671-66-740 % similar

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

Same formula

2-Amino-1-methyl-6-phenylimidazo(4,5-B)pyridine105650-23-5

Elsewhere

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