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N-[[3-(benzimidazol-1-yl)-4-chlorophenyl]methyl]-1-phenylethanamine

HCID 71196848
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Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
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Basic information

Standard SMILES
CC(NCc1ccc(Cl)c(-n2cnc3ccccc32)c1)c1ccccc1
InChIKey
FNHSQSIDYVJAHC-UHFFFAOYSA-N
Molecular formula
C22H20ClN3
Average molar mass
361.9 g/mol

Names & identifiers

Preferred name
N-[[3-(benzimidazol-1-yl)-4-chlorophenyl]methyl]-1-phenylethanamine
IUPAC
N-[[3-(benzimidazol-1-yl)-4-chlorophenyl]methyl]-1-phenylethanamine

Names & synonyms

SCHEMBL14537626

Database identifiers

PubChem CID
71196848

Properties

Computed structural properties

XLogP
5
Topological polar surface area
29.9 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
2
Rotatable bonds
5
Heavy atoms
26
Formal charge
0
Complexity
439

Related reactions

1 records
New reaction record
HRID 1212397 reaction equation
HRID 1212397As productTraining data from https://doi.org/10.1039/C8SC04228D (5/10)

Compound notes

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