6-[[1-Phenyl-2-propylamino-1H-benzimidazol-6-yl]oxy]Hexanoic Acid Methyl Ester

HCID 10200735
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Basic information

Standard SMILES
CCCNc1nc2ccc(OCCCCCC(=O)OC)cc2n1-c1ccccc1
InChIKey
QRRMILNHZKGHGF-UHFFFAOYSA-N
Molecular formula
C23H29N3O3
Average molar mass
395.5 g/mol
Monoisotopic mass
395.2208918

Names & identifiers

Preferred name
6-[[1-Phenyl-2-propylamino-1H-benzimidazol-6-yl]oxy]Hexanoic Acid Methyl Ester
IUPAC
methyl 6-[3-phenyl-2-(propylamino)benzimidazol-5-yl]oxyhexanoate

Names & synonyms

SCHEMBL5422071QRRMILNHZKGHGF-UHFFFAOYSA-N6-[[1-Phenyl-2-propylamino-1H-benzimidazol-6-yl]oxy]Hexanoic Acid Methyl Ester

Database identifiers

PubChem CID
10200735

Properties

Computed structural properties

XLogP
5.2
Topological polar surface area
65.4 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
5
Rotatable bonds
12
Heavy atoms
29

Related reactions

2 records
New reaction record

Compound notes

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