
 CHEMBL1083822

 66 69  0  0  0  0  0  0  0  0999 V2000
    5.4265   -1.4033   -1.6896 C   0  0  0  0  0
    4.9944   -0.2143   -0.8418 C   0  0  0  0  0
    5.0859    1.0758   -1.6455 C   0  0  0  0  0
    4.7339    2.2931   -0.9094 N   0  0  0  0  0
    3.3134    2.6132   -0.7473 C   0  0  0  0  0
    2.7951    2.3666    0.6558 C   0  0  0  0  0
    2.8892    3.3649    1.6385 C   0  0  0  0  0
    2.4142    3.1421    2.9334 C   0  0  0  0  0
    1.8490    1.9151    3.2690 C   0  0  0  0  0
    1.7456    0.9146    2.3050 C   0  0  0  0  0
    2.2045    1.1445    1.0061 C   0  0  0  0  0
    5.6632    3.2534   -0.4930 C   0  0  0  0  0
    5.3245    4.4035   -0.2242 O   0  0  0  0  0
    7.0331    2.8414   -0.3300 C   0  0  0  0  0
    7.6735    2.4953    0.8489 C   0  0  0  0  0
    9.0162    2.2934    0.6353 N   0  0  0  0  0
    9.2285    2.5011   -0.6445 C   0  0  0  0  0
    8.0439    2.8611   -1.2563 N   0  0  0  0  0
    7.9610    3.1780   -2.6652 C   0  0  0  0  0
    8.9893    2.3542   -3.4256 C   0  0  0  0  0
   10.3689    2.6210   -2.8235 C   0  0  0  0  0
   10.3794    2.3893   -1.3742 N   0  0  0  0  0
   11.6498    2.1717   -0.7754 C   0  0  0  0  0
   12.6992    3.1259   -0.8813 C   0  0  0  0  0
   13.9571    2.8695   -0.2973 C   0  0  0  0  0
   14.1935    1.7162    0.4476 C   0  0  0  0  0
   13.1670    0.7830    0.5706 C   0  0  0  0  0
   11.9120    0.9826   -0.0421 C   0  0  0  0  0
   10.8816   -0.0994    0.1609 C   0  0  0  0  0
   15.5337    1.4876    1.0790 C   0  0  0  0  0
   12.5484    4.4513   -1.5802 C   0  0  0  0  0
    7.0994    2.3617    2.2071 C   0  0  0  0  0
    5.3386   -2.3319   -1.1177 H   0  0  0  0  0
    6.4672   -1.2980   -2.0140 H   0  0  0  0  0
    4.7987   -1.4954   -2.5823 H   0  0  0  0  0
    5.6187   -0.1505    0.0553 H   0  0  0  0  0
    3.9690   -0.3879   -0.5139 H   0  0  0  0  0
    4.4306    1.0241   -2.5243 H   0  0  0  0  0
    6.0983    1.1610   -2.0423 H   0  0  0  0  0
    2.7239    2.0331   -1.4666 H   0  0  0  0  0
    3.1467    3.6658   -1.0103 H   0  0  0  0  0
    3.3316    4.3305    1.3990 H   0  0  0  0  0
    2.4886    3.9293    3.6797 H   0  0  0  0  0
    1.4864    1.7396    4.2775 H   0  0  0  0  0
    1.3041   -0.0440    2.5643 H   0  0  0  0  0
    2.0881    0.3561    0.2677 H   0  0  0  0  0
    6.9522    2.9690   -3.0286 H   0  0  0  0  0
    8.1510    4.2526   -2.7633 H   0  0  0  0  0
    8.7507    1.2854   -3.3488 H   0  0  0  0  0
    8.9812    2.6195   -4.4880 H   0  0  0  0  0
   10.6227    3.6600   -3.0525 H   0  0  0  0  0
   11.1031    1.9776   -3.3242 H   0  0  0  0  0
   14.7561    3.6021   -0.4000 H   0  0  0  0  0
   13.3353   -0.1206    1.1544 H   0  0  0  0  0
   10.3246    0.0779    1.0855 H   0  0  0  0  0
   11.3651   -1.0800    0.2424 H   0  0  0  0  0
   10.1886   -0.1710   -0.6820 H   0  0  0  0  0
   15.4947    0.6837    1.8215 H   0  0  0  0  0
   15.8720    2.3924    1.5951 H   0  0  0  0  0
   16.2682    1.2165    0.3142 H   0  0  0  0  0
   11.5655    4.8916   -1.3880 H   0  0  0  0  0
   12.7086    4.3301   -2.6559 H   0  0  0  0  0
   13.2843    5.1779   -1.2175 H   0  0  0  0  0
    7.8739    2.0989    2.9349 H   0  0  0  0  0
    6.3367    1.5770    2.2250 H   0  0  0  0  0
    6.6395    3.3023    2.5251 H   0  0  0  0  0
  1  2  1  0  0  0
  1 33  1  0  0  0
  1 34  1  0  0  0
  1 35  1  0  0  0
  2  3  1  0  0  0
  2 36  1  0  0  0
  2 37  1  0  0  0
  3  4  1  0  0  0
  3 38  1  0  0  0
  3 39  1  0  0  0
  4 12  1  0  0  0
  4  5  1  0  0  0
  5  6  1  0  0  0
  5 40  1  0  0  0
  5 41  1  0  0  0
  6  7  2  0  0  0
  6 11  1  0  0  0
  7  8  1  0  0  0
  7 42  1  0  0  0
  8  9  2  0  0  0
  8 43  1  0  0  0
  9 10  1  0  0  0
  9 44  1  0  0  0
 10 11  2  0  0  0
 10 45  1  0  0  0
 11 46  1  0  0  0
 12 14  1  0  0  0
 12 13  2  0  0  0
 14 15  2  0  0  0
 14 18  1  0  0  0
 15 16  1  0  0  0
 15 32  1  0  0  0
 16 17  2  0  0  0
 17 22  1  0  0  0
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 20 21  1  0  0  0
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 21 22  1  0  0  0
 21 51  1  0  0  0
 21 52  1  0  0  0
 22 23  1  0  0  0
 23 28  1  0  0  0
 23 24  2  0  0  0
 24 25  1  0  0  0
 24 31  1  0  0  0
 25 26  2  0  0  0
 25 53  1  0  0  0
 26 27  1  0  0  0
 26 30  1  0  0  0
 27 28  2  0  0  0
 27 54  1  0  0  0
 28 29  1  0  0  0
 29 55  1  0  0  0
 29 56  1  0  0  0
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 31 62  1  0  0  0
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 32 64  1  0  0  0
 32 65  1  0  0  0
 32 66  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL1083822

>  <PubChem CID>
46881384

>  <Formula>
C27H34N4O

>  <Molecular Weight>
430.596000

>  <IUPAC Name>
N-benzyl-2-methyl-N-propyl-8-(2,4,6-trimethylphenyl)-6,7-dihydro-5H-imidazo[1,2-a]pyrimidine-3-carboxamide

>  <XlogP>
5.8

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CCCN(CC1=CC=CC=C1)C(=O)C2=C(N=C3N2CCCN3C4=C(C=C(C=C4C)C)C)C

>  <Isomeric SMILES>
CCCN(CC1=CC=CC=C1)C(=O)C2=C(N=C3N2CCCN3C4=C(C=C(C=C4C)C)C)C

>  <InChI Std. ID>
InChI=1S/C27H34N4O/c1-6-13-29(18-23-11-8-7-9-12-23)26(32)25-22(5)28-27-30(14-10-15-31(25)27)24-20(3)16-19(2)17-21(24)4/h7-9,11-12,16-17H,6,10,13-15,18H2,1-5H3

>  <InChI Key>
BAASZDMCYFWYFM-UHFFFAOYSA-N

