Basic information
- CAS
87559-24-8- Standard SMILES
N=C(N)c1ccc(Oc2ccc(-c3cc4cc(C(=N)N)ccc4[nH]3)cc2)cc1- InChIKey
KMHDWPRFAZGODI-UHFFFAOYSA-N- Molecular formula
- C22H19N5O
- Average molar mass
- 369.4 g/mol
- Monoisotopic mass
- 369.15896025
Names & identifiers
- Preferred name
- 1H-Indole-5-carboximidamide, 2-(4-(4-(aminoiminomethyl)phenoxy)phenyl)-
- IUPAC
- 2-[4-(4-carbamimidoylphenoxy)phenyl]-1H-indole-5-carboximidamide
Names & synonyms
87559-24-81H-INDOLE-5-CARBOXIMIDAMIDE, 2-(4-(4-(AMINOIMINOMETHYL)PHENOXY)PHENYL)-2-(4-(4-(Aminoiminomethyl)phenoxy)phenyl)-1H-indole-5-carboximidamide2-[4-(4-carbamimidoylphenoxy)phenyl]-1H-indole-5-carboximidamideDTXSID60236464
Database identifiers
- CAS
87559-24-8- PubChem CID
- 55735
- DTXSID
DTXSID60236464
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 125 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 565
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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