Basic information
- CAS
184706-39-6- Standard SMILES
N#CC1=C(N)OC(c2ccccc2)=C(n2ccnc2)C1c1ccccc1- InChIKey
GTEIXJYKILKXBO-UHFFFAOYSA-N- Molecular formula
- C21H16N4O
- Average molar mass
- 340.4 g/mol
- Monoisotopic mass
- 340.13241115
Names & identifiers
- Preferred name
- 2-Amino-5-(1H-imidazol-1-yl)-4,6-diphenyl-4H-pyran-3-carbonitrile
- IUPAC
- 2-amino-5-imidazol-1-yl-4,6-diphenyl-4H-pyran-3-carbonitrile
Names & synonyms
2-Amino-5-(1H-imidazol-1-yl)-4,6-diphenyl-4H-pyran-3-carbonitrile184706-39-6DTXSID40578233
Database identifiers
- CAS
184706-39-6- PubChem CID
- 15782826
- DTXSID
DTXSID40578233- Nikkaji
- J845.888J
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 76.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 632
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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