
 CHEMBL485499

 45 48  0  0  0  0  0  0  0  0999 V2000
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   -0.8895    1.2167   -0.6328 C   0  0  0  0  0
   -1.3777   -0.0194   -1.2944 N   0  0  0  0  0
   -0.7256   -1.2674   -0.8336 C   0  0  0  0  0
    0.8005   -1.1141   -0.6514 C   0  0  0  0  0
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    0.8527   -0.0960    1.6007 C   0  0  0  0  0
    1.5385   -1.2719    2.3207 C   0  0  0  0  0
    1.2439   -1.2696    3.8063 C   0  0  0  0  0
    0.0225   -1.7852    4.2774 C   0  0  0  0  0
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    0.7057   -1.2087    6.5671 C   0  0  0  0  0
    1.9230   -0.7003    6.0822 C   0  0  0  0  0
    2.1803   -0.7322    4.7039 C   0  0  0  0  0
    3.2097    0.0287    7.2601 Br  0  0  0  0  0
    0.2030   -1.2910    7.8496 N   0  0  0  0  0
   -0.9785   -1.8491    7.7295 C   0  0  0  0  0
   -1.2680   -2.1389    6.4269 N   0  0  0  0  0
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   -4.9758    0.9587   -1.8203 C   0  0  0  0  0
   -5.5576   -0.2584   -2.1440 C   0  0  0  0  0
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   -3.3870   -1.3038   -1.9369 C   0  0  0  0  0
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    1.2046   -2.2331    1.9110 H   0  0  0  0  0
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    3.1208   -0.3329    4.3285 H   0  0  0  0  0
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   -6.6212   -0.3210   -2.3564 H   0  0  0  0  0
   -5.1958   -2.3484   -2.4825 H   0  0  0  0  0
   -2.8230   -2.2249   -2.0359 H   0  0  0  0  0
  1  6  1  0  0  0
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  1 25  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL485499

>  <PubChem CID>
25105245

>  <Formula>
C19H21BrN4

>  <Molecular Weight>
385.309000

>  <IUPAC Name>
4-bromo-6-[2-(4-phenylpiperazin-1-yl)ethyl]-1H-benzimidazole

>  <XlogP>
4.1

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
C1CN(CCN1CCC2=CC3=C(C(=C2)Br)N=CN3)C4=CC=CC=C4

>  <Isomeric SMILES>
C1CN(CCN1CCC2=CC3=C(C(=C2)Br)N=CN3)C4=CC=CC=C4

>  <InChI Std. ID>
InChI=1S/C19H21BrN4/c20-17-12-15(13-18-19(17)22-14-21-18)6-7-23-8-10-24(11-9-23)16-4-2-1-3-5-16/h1-5,12-14H,6-11H2,(H,21,22)

>  <InChI Key>
FNBRMLSEYFMCPO-UHFFFAOYSA-N

