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5-(Benzimidazol-2-yl)-3-(1-Methylpiperidin-4-yl)-1H-Indole

HCID 12043258
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
CN1CCC(c2c[nH]c3ccc(-c4nc5ccccc5[nH]4)cc23)CC1
InChIKey
JQDZPYIJXLVDLG-UHFFFAOYSA-N
Molecular formula
C21H22N4
Average molar mass
330.4 g/mol

Names & identifiers

Preferred name
5-(Benzimidazol-2-yl)-3-(1-Methylpiperidin-4-yl)-1H-Indole
IUPAC
2-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]-1H-benzimidazole

Names & synonyms

SCHEMBL7019628JQDZPYIJXLVDLG-UHFFFAOYSA-N5-(Benzimidazol-2-yl)-3-(1-Methylpiperidin-4-yl)-1H-Indole

Database identifiers

PubChem CID
12043258

Properties

Computed structural properties

XLogP
3.9
Topological polar surface area
47.7 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
2
Rotatable bonds
2
Heavy atoms
25
Formal charge
0
Complexity
461

Related reactions

2 records
New reaction record
HRID 168136 reaction equation
HRID 168136As productTraining data from https://doi.org/10.1039/C8SC04228D (9/10)
HRID 278016 reaction equation
HRID 278016As productuspto-grants-2002_03

Compound notes

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