<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <version>1.0</version>
  <creation_date>2026-04-05 13:16:24 UTC</creation_date>
  <update_date>2026-08-21 19:32:21 UTC</update_date>
  <accession/>
  <common_name>N~1~-[(1H-Benzimidazol-2-yl)methyl]-N~1~-(5,6,7,8-tetrahydroquinolin-8-yl)butane-1,4-diamine</common_name>
  <class>SmallMolecule</class>
  <description>N~1~-[(1H-Benzimidazol-2-yl)methyl]-N~1~-(5,6,7,8-tetrahydroquinolin-8-yl)butane-1,4-diamine belongs to the aminoquinolines and derivatives, a subclass of quinolines and derivatives within the organic compounds. This organoheterocyclic compound has the formula C21H27N5 and an average molecular weight of 349.48 g/mol. It acts as an inhibitor and antagonist of the C-X-C chemokine receptor type 4 (CXCR4). The compound is recorded as being used in healthcare, pharmaceuticals, and veterinary products as an immunostimulant, with oral exposure being the recorded route.</description>
  <categories/>
  <types/>
  <synonyms/>
  <chemical_formula>C21H27N5</chemical_formula>
  <average_molecular_weight>349.482</average_molecular_weight>
  <monisotopic_moleculate_weight>349.2266459</monisotopic_moleculate_weight>
  <iupac_name/>
  <traditional_iupac/>
  <cas_registry_number>558447-26-0</cas_registry_number>
  <smiles>[H][C@@]1(CCCC2=C1N=CC=C2)N(CCCCN)CC1=NC2=CC=CC=C2N1</smiles>
  <inchi>InChI=1S/C21H27N5/c22-12-3-4-14-26(15-20-24-17-9-1-2-10-18(17)25-20)19-11-5-7-16-8-6-13-23-21(16)19/h1-2,6,8-10,13,19H,3-5,7,11-12,14-15,22H2,(H,24,25)/t19-/m0/s1</inchi>
  <inchikey>WVLHHLRVNDMIAR-IBGZPJMESA-N</inchikey>
  <taxonomy>
    <kingdom/>
    <super_class/>
    <class/>
    <sub_class/>
    <direct_parent/>
    <alternate_parents/>
    <substituents/>
    <molecular_framework/>
    <descriptors/>
  </taxonomy>
  <status>Detected and Not Quantified</status>
  <origin/>
  <cellular_locations/>
  <biofluid_locations/>
  <tissue_locations/>
  <pathways/>
  <state/>
  <appearance/>
  <experimental_properties>
    <property>
      <kind>logp</kind>
      <value>2.61</value>
    </property>
  </experimental_properties>
  <predicted_properties>
    <property>
      <kind>average_mass</kind>
      <value>349.482</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>mono_mass</kind>
      <value>349.2266459</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>smiles</kind>
      <value>[H][C@@]1(CCCC2=C1N=CC=C2)N(CCCCN)CC1=NC2=CC=CC=C2N1</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>formula</kind>
      <value>C21H27N5</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchi</kind>
      <value>InChI=1S/C21H27N5/c22-12-3-4-14-26(15-20-24-17-9-1-2-10-18(17)25-20)19-11-5-7-16-8-6-13-23-21(16)19/h1-2,6,8-10,13,19H,3-5,7,11-12,14-15,22H2,(H,24,25)/t19-/m0/s1</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchikey</kind>
      <value>WVLHHLRVNDMIAR-IBGZPJMESA-N</value>
      <source>ChemAxon</source>
    </property>
  </predicted_properties>
  <route_of_exposure/>
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  <metabolism/>
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  <lethaldose/>
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  <use_source/>
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  <health_effects>#&lt;HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f3bf31278a8&gt;</health_effects>
  <symptoms/>
  <treatment/>
  <drugbank_id>DB05501</drugbank_id>
  <hmdb_id/>
  <pubchem_compound_id>11256587</pubchem_compound_id>
  <chembl_id/>
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  <biocyc_id/>
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  <wikipidia/>
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