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1-benzyl-3-methyl-2-pyridin-3-yl-1H-indole

HCID 44554131
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
Cc1c(-c2cccnc2)n(Cc2ccccc2)c2ccccc12
InChIKey
YGYXOYYRXYMUSX-UHFFFAOYSA-N
Molecular formula
C21H18N2
Average molar mass
298.4 g/mol

Names & identifiers

Preferred name
1-benzyl-3-methyl-2-pyridin-3-yl-1H-indole
IUPAC
1-benzyl-3-methyl-2-pyridin-3-ylindole

Names & synonyms

SCHEMBL1606366YGYXOYYRXYMUSX-UHFFFAOYSA-N1-benzyl-3-methyl-2-pyridin-3-yl-1H-indole

Database identifiers

PubChem CID
44554131

Properties

Computed structural properties

XLogP
4.6
Topological polar surface area
17.8 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
1
Rotatable bonds
3
Heavy atoms
23
Formal charge
0
Complexity
376

Related reactions

4 records
New reaction record
HRID 593496 reaction equation
HRID 593496As productuspto-grants-2016_01
HRID 1552256 reaction equation
HRID 1552256As productTraining data from https://doi.org/10.1039/C8SC04228D (1/10)
HRID 1630767 reaction equation
HRID 1630767As productuspto-grants-2014_07
HRID 1661542 reaction equation
HRID 1661542As productuspto-grants-2011_10

Compound notes

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