Basic information
- CAS
87559-18-0- Standard SMILES
N=C(N)c1ccc2nc(Nc3nc4ccccc4[nH]3)[nH]c2c1- InChIKey
ANAXDQKLUZENBR-UHFFFAOYSA-N- Molecular formula
- C15H13N7
- Average molar mass
- 291.31 g/mol
- Monoisotopic mass
- 291.12324344
Names & identifiers
- Preferred name
- 1H-Benzimidazole-5-carboximidamide, 2-(1H-benzimidazol-2-ylamino)-
- IUPAC
- 2-(1H-benzimidazol-2-ylamino)-3H-benzimidazole-5-carboximidamide
Names & synonyms
87559-18-01H-BENZIMIDAZOLE-5-CARBOXIMIDAMIDE, 2-(1H-BENZIMIDAZOL-2-YLAMINO)-2-(1H-Benzimidazol-2-ylamino)-1H-benzimidazole-5-carboximidamideSCHEMBL7399259DTXSID402364622-[(1H-1,3-Benzimidazol-2-yl)amino]-1H-1,3-benzimidazole-6-carboximidamide
Database identifiers
- CAS
87559-18-0- PubChem CID
- 55732
- DTXSID
DTXSID40236462
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 119 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 428
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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