
 CHEMBL18303

 42 44  0  0  0  0  0  0  0  0999 V2000
    3.2663    1.9061   -2.5556 C   0  0  0  0  0
    3.0773    1.0309   -1.3194 C   0  0  0  0  0
    4.0460   -0.1554   -1.3260 C   0  0  0  0  0
    3.1799    1.8275   -0.0972 N   0  0  0  0  0
    2.1497    2.3509    0.6567 C   0  0  0  0  0
    2.7618    3.0043    1.7091 C   0  0  0  0  0
    4.1380    2.8397    1.4969 C   0  0  0  0  0
    4.4019    2.1456    0.3910 N   0  0  0  0  0
    0.7263    2.1907    0.3577 C   0  0  0  0  0
    0.1236    0.9627    0.6869 C   0  0  0  0  0
   -1.2216    0.7319    0.4111 C   0  0  0  0  0
   -1.9768    1.7288   -0.1932 C   0  0  0  0  0
   -1.3913    2.9579   -0.5090 C   0  0  0  0  0
   -0.0421    3.2295   -0.2221 C   0  0  0  0  0
    0.5481    4.4484   -0.6152 N   0  0  0  0  0
   -0.2577    5.6649   -0.4426 C   0  0  0  0  0
    0.5599    6.9158   -0.7537 C   0  0  0  0  0
   -0.0044    7.9744   -1.2811 N   0  0  0  0  0
    1.1034    8.9632   -1.4016 C   0  0  0  0  0
    2.2557    8.4265   -0.5479 C   0  0  0  0  0
    1.8948    7.0335   -0.4295 N   0  0  0  0  0
    2.5348    2.7211   -2.5725 H   0  0  0  0  0
    3.1349    1.3179   -3.4697 H   0  0  0  0  0
    4.2651    2.3552   -2.5801 H   0  0  0  0  0
    2.0649    0.6143   -1.3471 H   0  0  0  0  0
    5.0907    0.1727   -1.3597 H   0  0  0  0  0
    3.8690   -0.7924   -2.1993 H   0  0  0  0  0
    3.9171   -0.7711   -0.4288 H   0  0  0  0  0
    2.2710    3.5208    2.5218 H   0  0  0  0  0
    4.9637    3.1979    2.0994 H   0  0  0  0  0
    0.7108    0.1740    1.1532 H   0  0  0  0  0
   -1.6737   -0.2247    0.6555 H   0  0  0  0  0
   -3.0218    1.5515   -0.4339 H   0  0  0  0  0
   -2.0090    3.6934   -1.0163 H   0  0  0  0  0
    1.4922    4.5553   -0.2562 H   0  0  0  0  0
   -0.6042    5.7533    0.5940 H   0  0  0  0  0
   -1.1228    5.6670   -1.1138 H   0  0  0  0  0
    1.3927    9.0437   -2.4551 H   0  0  0  0  0
    0.7771    9.9487   -1.0545 H   0  0  0  0  0
    2.2630    8.9015    0.4386 H   0  0  0  0  0
    3.2284    8.5676   -1.0271 H   0  0  0  0  0
    2.2412    6.5174    0.3690 H   0  0  0  0  0
  1  2  1  0  0  0
  1 22  1  0  0  0
  1 23  1  0  0  0
  1 24  1  0  0  0
  2  4  1  0  0  0
  2  3  1  0  0  0
  2 25  1  0  0  0
  3 26  1  0  0  0
  3 27  1  0  0  0
  3 28  1  0  0  0
  4  5  1  0  0  0
  4  8  1  0  0  0
  5  6  2  0  0  0
  5  9  1  0  0  0
  6  7  1  0  0  0
  6 29  1  0  0  0
  7  8  2  0  0  0
  7 30  1  0  0  0
  9 10  2  0  0  0
  9 14  1  0  0  0
 10 11  1  0  0  0
 10 31  1  0  0  0
 11 12  2  0  0  0
 11 32  1  0  0  0
 12 13  1  0  0  0
 12 33  1  0  0  0
 13 14  2  0  0  0
 13 34  1  0  0  0
 14 15  1  0  0  0
 15 16  1  0  0  0
 15 35  1  0  0  0
 16 17  1  0  0  0
 16 36  1  0  0  0
 16 37  1  0  0  0
 17 18  2  0  0  0
 17 21  1  0  0  0
 18 19  1  0  0  0
 19 20  1  0  0  0
 19 38  1  0  0  0
 19 39  1  0  0  0
 20 21  1  0  0  0
 20 40  1  0  0  0
 20 41  1  0  0  0
 21 42  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL18303

>  <PubChem CID>
22493387

>  <Formula>
C16H21N5

>  <Molecular Weight>
283.379000

>  <IUPAC Name>
N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-(2-propan-2-ylpyrazol-3-yl)aniline

>  <XlogP>
1.6

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CC(C)N1C(=CC=N1)C2=CC=CC=C2NCC3=NCCN3

>  <Isomeric SMILES>
CC(C)N1C(=CC=N1)C2=CC=CC=C2NCC3=NCCN3

>  <InChI Std. ID>
InChI=1S/C16H21N5/c1-12(2)21-15(7-8-20-21)13-5-3-4-6-14(13)19-11-16-17-9-10-18-16/h3-8,12,19H,9-11H2,1-2H3,(H,17,18)

>  <InChI Key>
APTMFOIALVJASZ-UHFFFAOYSA-N

