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9-Chloro-1-[2-(difluoromethoxy)-4,6-dimethylpyrimidin-5-yl]-6-[1-(difluoromethoxy)-2,2,2-trifluoroethyl]-1,2,3,4-tetrahydropyrimido[1,2-a]benzimidazole

HCID 57785809
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
Cc1nc(OC(F)F)nc(C)c1N1CCCn2c1nc1c(Cl)ccc(C(OC(F)F)C(F)(F)F)c12
InChIKey
OXJOVZDCEDILJR-UHFFFAOYSA-N
Molecular formula
C20H17ClF7N5O2
Average molar mass
527.8 g/mol

Names & identifiers

Preferred name
9-Chloro-1-[2-(difluoromethoxy)-4,6-dimethylpyrimidin-5-yl]-6-[1-(difluoromethoxy)-2,2,2-trifluoroethyl]-1,2,3,4-tetrahydropyrimido[1,2-a]benzimidazole
IUPAC
9-chloro-1-[2-(difluoromethoxy)-4,6-dimethylpyrimidin-5-yl]-6-[1-(difluoromethoxy)-2,2,2-trifluoroethyl]-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazole

Names & synonyms

9-Chloro-1-[2-(difluoromethoxy)-4,6-dimethylpyrimidin-5-yl]-6-[1-(difluoromethoxy)-2,2,2-trifluoroethyl]-1,2,3,4-tetrahydropyrimido[1,2-a]benzimidazoleSCHEMBL3760990

Database identifiers

PubChem CID
57785809

Properties

Computed structural properties

XLogP
6.2
Topological polar surface area
65.3 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
13
Rotatable bonds
6
Heavy atoms
35
Formal charge
0
Complexity
714

Related reactions

2 records
New reaction record
HRID 1399131 reaction equation
HRID 1399131As productuspto-grants-2014_12
HRID 1628780 reaction equation
HRID 1628780As productuspto-grants-2014_07

Compound notes

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On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes