Tert-butyl 2-[5-(4-cyano-2-fluorophenyl)-7-hydroxy-5,6-dihydropyrrolo[1,2-c]imidazol-7-yl]acetate

HCID 77242298
NotesReactions
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Basic information

Standard SMILES
CC(C)(C)OC(=O)CC1(O)CC(c2ccc(C#N)cc2F)n2cncc21
InChIKey
RDMPNNLWEYUHQJ-UHFFFAOYSA-N
Molecular formula
C19H20FN3O3
Average molar mass
357.4 g/mol
Monoisotopic mass
357.14886967

Names & identifiers

Preferred name
Tert-butyl 2-[5-(4-cyano-2-fluorophenyl)-7-hydroxy-5,6-dihydropyrrolo[1,2-c]imidazol-7-yl]acetate
IUPAC
tert-butyl 2-[5-(4-cyano-2-fluorophenyl)-7-hydroxy-5,6-dihydropyrrolo[1,2-c]imidazol-7-yl]acetate

Database identifiers

PubChem CID
77242298

Properties

Computed structural properties

XLogP
2
Topological polar surface area
88.1 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
6
Rotatable bonds
5
Heavy atoms
26

Related reactions

1 records
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Compound notes

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