2-{[1-(3,5-dichloro-2-hydroxy-benzyl)-piperidin-4-ylmethyl]-amino}-1H-benzimidazole-4-carboxylic acid methyl ester

HCID 10195352

Basic information

Standard SMILES
COC(=O)c1cccc2[nH]c(NCC3CCN(Cc4cc(Cl)cc(Cl)c4O)CC3)nc12
InChIKey
FMQLBTZJMFNWLF-UHFFFAOYSA-N
Molecular formula
C22H24Cl2N4O3
Average molar mass
463.4 g/mol

Names & identifiers

Preferred name
2-{[1-(3,5-dichloro-2-hydroxy-benzyl)-piperidin-4-ylmethyl]-amino}-1H-benzimidazole-4-carboxylic acid methyl ester
IUPAC
methyl 2-[[1-[(3,5-dichloro-2-hydroxyphenyl)methyl]piperidin-4-yl]methylamino]-1H-benzimidazole-4-carboxylate

Names & synonyms

SCHEMBL4504259FMQLBTZJMFNWLF-UHFFFAOYSA-N2-{[1-(3,5-dichloro-2-hydroxy-benzyl)-piperidin-4-ylmethyl]-amino}-1H-benzimidazole-4-carboxylic acid methyl ester

Database identifiers

PubChem CID
10195352

Properties

Computed structural properties

XLogP
4.8
Topological polar surface area
90.5 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
6
Rotatable bonds
7
Heavy atoms
31

Related reactions

4 records

Compound notes

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