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(1H-benzo[d]imidazol-2-yl)(4-(3-(tetrahydro-2H-pyran-3-yl)pyridin-2-yloxy)phenyl)methanone

HCID 59326862
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
O=C(c1ccc(Oc2ncccc2C2CCCOC2)cc1)c1nc2ccccc2[nH]1
InChIKey
FUAUVUZZSTVVMT-UHFFFAOYSA-N
Molecular formula
C24H21N3O3
Average molar mass
399.4 g/mol
Monoisotopic mass
399.15829154

Names & identifiers

Preferred name
(1H-benzo[d]imidazol-2-yl)(4-(3-(tetrahydro-2H-pyran-3-yl)pyridin-2-yloxy)phenyl)methanone
IUPAC
1H-benzimidazol-2-yl-[4-[[3-(oxan-3-yl)-2-pyridinyl]oxy]phenyl]methanone

Names & synonyms

SCHEMBL2491723FUAUVUZZSTVVMT-UHFFFAOYSA-N(1H-benzo[d]imidazol-2-yl)(4-(3-(tetrahydro-2H-pyran-3-yl)pyridin-2-yloxy)phenyl)methanone

Database identifiers

PubChem CID
59326862

Properties

Computed structural properties

XLogP
4.3
Topological polar surface area
77.1 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
5
Rotatable bonds
5
Heavy atoms
30
Formal charge
0
Complexity
580

Related reactions

3 records
New reaction record
HRID 89606 reaction equation
HRID 89606As productTraining data from https://doi.org/10.1039/C8SC04228D (2/10)
HRID 410230 reaction equation
HRID 410230As productuspto-grants-2014_06
HRID 1880097 reaction equation
HRID 1880097As productuspto-grants-2012_11

Compound notes

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On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes