
 CHEMBL348369

 37 39  0  0  0  0  0  0  0  0999 V2000
    1.2208   -3.6422   -4.2465 C   0  0  0  0  0
    2.5521   -3.2332   -4.2598 C   0  0  0  0  0
    3.0039   -2.2963   -3.3291 C   0  0  0  0  0
    2.1342   -1.7732   -2.3589 C   0  0  0  0  0
    0.7934   -2.1867   -2.3650 C   0  0  0  0  0
    0.3403   -3.1140   -3.3049 C   0  0  0  0  0
    2.6309   -0.8042   -1.3058 C   0  0  0  0  0
    3.5745   -1.4531   -0.3806 N   0  0  0  0  0
    2.9649   -2.1655    0.7587 C   0  0  0  0  0
    2.7778   -3.6332    0.5962 C   0  0  0  0  0
    2.2316   -4.5930    1.4208 C   0  0  0  0  0
    2.2663   -5.8295    0.8272 N   0  0  0  0  0
    2.8229   -5.6337   -0.3463 C   0  0  0  0  0
    3.1616   -4.3254   -0.5242 N   0  0  0  0  0
    4.9577   -1.3642   -0.5169 C   0  0  0  0  0
    5.8342   -2.1776    0.2274 C   0  0  0  0  0
    7.2280   -2.1159    0.0853 C   0  0  0  0  0
    7.7989   -1.2237   -0.8094 C   0  0  0  0  0
    6.9727   -0.3972   -1.5558 C   0  0  0  0  0
    5.5796   -0.4709   -1.4081 C   0  0  0  0  0
    0.8680   -4.3734   -4.9693 H   0  0  0  0  0
    3.2406   -3.6470   -4.9921 H   0  0  0  0  0
    4.0491   -1.9968   -3.3472 H   0  0  0  0  0
    0.0926   -1.7995   -1.6284 H   0  0  0  0  0
   -0.6997   -3.4310   -3.2960 H   0  0  0  0  0
    1.7762   -0.4138   -0.7374 H   0  0  0  0  0
    3.0320    0.0849   -1.7999 H   0  0  0  0  0
    1.9760   -1.7350    0.9673 H   0  0  0  0  0
    3.5359   -1.9690    1.6759 H   0  0  0  0  0
    1.8109   -4.4612    2.4090 H   0  0  0  0  0
    3.0047   -6.3872   -1.0999 H   0  0  0  0  0
    3.6006   -3.9171   -1.3384 H   0  0  0  0  0
    5.4562   -2.9077    0.9380 H   0  0  0  0  0
    7.8597   -2.7723    0.6785 H   0  0  0  0  0
    8.8778   -1.1709   -0.9222 H   0  0  0  0  0
    7.4035    0.3137   -2.2561 H   0  0  0  0  0
    5.0040    0.2157   -2.0188 H   0  0  0  0  0
  1  2  2  0  0  0
  1  6  1  0  0  0
  1 21  1  0  0  0
  2  3  1  0  0  0
  2 22  1  0  0  0
  3  4  2  0  0  0
  3 23  1  0  0  0
  4  5  1  0  0  0
  4  7  1  0  0  0
  5  6  2  0  0  0
  5 24  1  0  0  0
  6 25  1  0  0  0
  7  8  1  0  0  0
  7 26  1  0  0  0
  7 27  1  0  0  0
  8 15  1  0  0  0
  8  9  1  0  0  0
  9 10  1  0  0  0
  9 28  1  0  0  0
  9 29  1  0  0  0
 10 11  2  0  0  0
 10 14  1  0  0  0
 11 12  1  0  0  0
 11 30  1  0  0  0
 12 13  2  0  0  0
 13 14  1  0  0  0
 13 31  1  0  0  0
 14 32  1  0  0  0
 15 16  2  0  0  0
 15 20  1  0  0  0
 16 17  1  0  0  0
 16 33  1  0  0  0
 17 18  2  0  0  0
 17 34  1  0  0  0
 18 19  1  0  0  0
 18 35  1  0  0  0
 19 20  2  0  0  0
 19 36  1  0  0  0
 20 37  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL348369

>  <PubChem CID>
44370261

>  <Formula>
C17H17N3

>  <Molecular Weight>
263.344000

>  <IUPAC Name>
N-benzyl-N-(1H-imidazol-5-ylmethyl)aniline

>  <XlogP>
3.2

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
C1=CC=C(C=C1)CN(CC2=CN=CN2)C3=CC=CC=C3

>  <Isomeric SMILES>
C1=CC=C(C=C1)CN(CC2=CN=CN2)C3=CC=CC=C3

>  <InChI Std. ID>
InChI=1S/C17H17N3/c1-3-7-15(8-4-1)12-20(13-16-11-18-14-19-16)17-9-5-2-6-10-17/h1-11,14H,12-13H2,(H,18,19)

>  <InChI Key>
ACAVDVGFCBLNES-UHFFFAOYSA-N

