2-imidazol-1-yl-1-phenyl-1H-indole-3-carboxaldehyde

HCID 59754757

Notes Reactions

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Basic information

CAS: 675580-78-6
Standard SMILES: O=Cc1c(-n2ccnc2)n(-c2ccccc2)c2ccccc12
InChIKey: KYJCYVPUKYFKMJ-UHFFFAOYSA-N
Molecular formula: C18H13N3O
Average molar mass: 287.3 g/mol
Monoisotopic mass: 287.10586205

Names & identifiers

Preferred name: 2-imidazol-1-yl-1-phenyl-1H-indole-3-carboxaldehyde
IUPAC: 2-imidazol-1-yl-1-phenylindole-3-carbaldehyde

Names & synonyms

675580-78-62-imidazol-1-yl-1-phenyl-1H-indole-3-carboxaldehydeSCHEMBL23407682-(1H-Imidazol-1-yl)-1-phenyl-1H-indole-3-carbaldehydeDTXSID90732863KYJCYVPUKYFKMJ-UHFFFAOYSA-N

Database identifiers

CAS: 675580-78-6
PubChem CID: 59754757
DTXSID: DTXSID90732863

Properties

Computed structural properties

XLogP: 3.2
Topological polar surface area: 39.8 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 3
Heavy atoms: 22
Formal charge: 0
Complexity: 396

Related reactions

3 records

New reaction record

HRID 751366As productuspto-grants-2008_07

HRID 1678149As productuspto-grants-2011_08

HRID 2323393As productTraining data from https://doi.org/10.1039/C8SC04228D (10/10)

Compound notes

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