Basic information
- CAS
73819-46-2- Standard SMILES
N=C(N)c1cccc(Oc2ccc(-c3cc4ccc(C(=N)N)cc4[nH]3)cc2)c1- InChIKey
JIAOXABVTMPZRF-UHFFFAOYSA-N- Molecular formula
- C22H19N5O
- Average molar mass
- 369.4 g/mol
- Monoisotopic mass
- 369.15896025
Names & identifiers
- Preferred name
- 1H-Indole-6-carboximidamide, 2-(4-(3-(aminoiminomethyl)phenoxy)phenyl)-
- IUPAC
- 2-[4-(3-carbamimidoylphenoxy)phenyl]-1H-indole-6-carboximidamide
Names & synonyms
1H-INDOLE-6-CARBOXIMIDAMIDE, 2-(4-(3-(AMINOIMINOMETHYL)PHENOXY)PHENYL)-73819-46-21H-Indole-6-carboximidamide, 2-[4-[3-(aminoiminomethyl)phenoxy]phenyl]-2-(4-(3-(Aminoiminomethyl)phenoxy)phenyl)-1H-indole-6-carboximidamideCHEMBL440370SCHEMBL3369563DTXSID602242652-[4-(3-carbamimidoylphenoxy)phenyl]-1H-indole-6-carboximidamide2-[4-(3-carbamimidoylphenoxy)phenyl]-1H-indole-6-carboxamidine
Database identifiers
- CAS
73819-46-2- PubChem CID
- 52601
- DTXSID
DTXSID60224265- ChEMBL
CHEMBL440370
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
- 573
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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