Basic information
- CAS
59568-87-5- Standard SMILES
Nc1ccc(-c2ccc3nc(N)[nH]c3c2)cc1- InChIKey
VTIAAWFNZXZEGH-UHFFFAOYSA-N- Molecular formula
- C13H12N4
- Average molar mass
- 224.26 g/mol
- Monoisotopic mass
- 224.1061964
Names & identifiers
- Preferred name
- 1H-Benzimidazol-2-amine, 5-(4-aminophenyl)-
- IUPAC
- 6-(4-aminophenyl)-1H-benzimidazol-2-amine
Names & synonyms
59568-87-5EINECS 261-808-91H-Benzimidazol-2-amine, 5-(4-aminophenyl)-DTXSID80974972VTIAAWFNZXZEGH-UHFFFAOYSA-NNS000556825-(4-Aminophenyl)-2-amine-1N-benzimidazol-4-(2-Imino-2,3-dihydro-1H-benzimidazol-5-yl)aniline4-(2-Imino-2,3-dihydro-1H-1,3-benzimidazol-5-yl)aniline
Database identifiers
- CAS
59568-87-5- PubChem CID
- 101079
- DTXSID
DTXSID80974972- EC Number
- 261-808-9
- Nikkaji
- J298.181E
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 80.7 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 262
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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