
 CHEMBL3793159

 61 64  0  0  0  0  0  0  0  0999 V2000
    2.1168   -0.9280    0.2799 C   0  0  0  0  0
    2.5583   -0.2989   -1.0378 C   0  0  0  0  0
    2.9406    1.1201   -0.8969 N   0  0  0  0  0
    1.8185    2.0628   -0.7649 C   0  0  0  0  0
    1.6097    2.5846    0.6457 C   0  0  0  0  0
    4.2557    1.4712   -0.5694 C   0  0  0  0  0
    4.8517    2.7561   -0.6808 C   0  0  0  0  0
    6.1231    3.0848   -0.1728 C   0  0  0  0  0
    6.9953    2.0800    0.3030 C   0  0  0  0  0
    6.4670    0.7873    0.3554 C   0  0  0  0  0
    5.1562    0.5123   -0.0488 C   0  0  0  0  0
    8.4036    2.3615    0.6499 C   0  0  0  0  0
    8.8002    3.5303    1.3186 C   0  0  0  0  0
   10.1449    3.7790    1.6189 C   0  0  0  0  0
   11.1262    2.8572    1.2612 C   0  0  0  0  0
   10.7648    1.6923    0.6007 C   0  0  0  0  0
    9.4216    1.4503    0.2947 C   0  0  0  0  0
    6.3317    4.4492   -0.2289 N   0  0  0  0  0
    5.2842    4.9496   -0.8344 C   0  0  0  0  0
    4.5165    3.9272   -1.3424 N   0  0  0  0  0
    3.7701    4.0391   -2.5729 C   0  0  0  0  0
    4.9614    6.2486   -1.0643 N   0  0  0  0  0
    5.4324    7.3061   -0.2176 C   0  0  0  0  0
    6.0267    8.4351   -0.8432 C   0  0  0  0  0
    6.4972    9.5043   -0.0779 C   0  0  0  0  0
    6.3854    9.4585    1.3084 C   0  0  0  0  0
    5.7881    8.3702    1.9394 C   0  0  0  0  0
    5.2817    7.2944    1.1879 C   0  0  0  0  0
    4.5993    6.1781    1.9309 C   0  0  0  0  0
    6.9718   10.7739    2.2537 Cl  0  0  0  0  0
    6.0755    8.3788   -2.2200 O   0  0  0  0  0
    6.9038    9.3395   -2.8658 C   0  0  0  0  0
    1.8917   -1.9894    0.1315 H   0  0  0  0  0
    1.2116   -0.4503    0.6660 H   0  0  0  0  0
    2.8825   -0.8546    1.0576 H   0  0  0  0  0
    1.7283   -0.3767   -1.7511 H   0  0  0  0  0
    3.3668   -0.8837   -1.4925 H   0  0  0  0  0
    0.8884    1.5714   -1.0808 H   0  0  0  0  0
    1.9166    2.8968   -1.4542 H   0  0  0  0  0
    1.4004    1.7730    1.3469 H   0  0  0  0  0
    0.7514    3.2661    0.6596 H   0  0  0  0  0
    2.4778    3.1375    1.0133 H   0  0  0  0  0
    7.0687   -0.0351    0.7383 H   0  0  0  0  0
    4.8486   -0.5235    0.0716 H   0  0  0  0  0
    8.0592    4.2748    1.6062 H   0  0  0  0  0
   10.4216    4.7005    2.1244 H   0  0  0  0  0
   12.1693    3.0544    1.4910 H   0  0  0  0  0
   11.5238    0.9691    0.3084 H   0  0  0  0  0
    9.1771    0.5401   -0.2496 H   0  0  0  0  0
    3.5527    3.0465   -2.9728 H   0  0  0  0  0
    4.3872    4.5693   -3.3049 H   0  0  0  0  0
    2.8564    4.6065   -2.3830 H   0  0  0  0  0
    5.1637    6.5490   -2.0200 H   0  0  0  0  0
    6.9462   10.3798   -0.5323 H   0  0  0  0  0
    5.7007    8.3630    3.0237 H   0  0  0  0  0
    3.7008    5.8446    1.4023 H   0  0  0  0  0
    4.2670    6.5119    2.9209 H   0  0  0  0  0
    5.2827    5.3378    2.0779 H   0  0  0  0  0
    6.9229    9.0997   -3.9331 H   0  0  0  0  0
    7.9328    9.2901   -2.4938 H   0  0  0  0  0
    6.4916   10.3484   -2.7610 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  6  1  0  0  0
  3  4  1  0  0  0
  4  5  1  0  0  0
  4 38  1  0  0  0
  4 39  1  0  0  0
  5 40  1  0  0  0
  5 41  1  0  0  0
  5 42  1  0  0  0
  6 11  1  0  0  0
  6  7  2  0  0  0
  7 20  1  0  0  0
  7  8  1  0  0  0
  8 18  1  0  0  0
  8  9  2  0  0  0
  9 10  1  0  0  0
  9 12  1  0  0  0
 10 11  2  0  0  0
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 11 44  1  0  0  0
 12 13  2  0  0  0
 12 17  1  0  0  0
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 28 29  1  0  0  0
 29 56  1  0  0  0
 29 57  1  0  0  0
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 32 59  1  0  0  0
 32 60  1  0  0  0
 32 61  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL3793159

>  <PubChem CID>
127030926

>  <Formula>
C26H29ClN4O

>  <Molecular Weight>
448.995000

>  <IUPAC Name>
2-N-(4-chloro-2-methoxy-6-methylphenyl)-4-N,4-N-diethyl-3-methyl-7-phenylbenzimidazole-2,4-diamine

>  <XlogP>
6.8

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CCN(CC)C1=C2C(=C(C=C1)C3=CC=CC=C3)N=C(N2C)NC4=C(C=C(C=C4C)Cl)OC

>  <Isomeric SMILES>
CCN(CC)C1=C2C(=C(C=C1)C3=CC=CC=C3)N=C(N2C)NC4=C(C=C(C=C4C)Cl)OC

>  <InChI Std. ID>
InChI=1S/C26H29ClN4O/c1-6-31(7-2)21-14-13-20(18-11-9-8-10-12-18)24-25(21)30(4)26(29-24)28-23-17(3)15-19(27)16-22(23)32-5/h8-16H,6-7H2,1-5H3,(H,28,29)

>  <InChI Key>
AHRLZFQOAGYJQQ-UHFFFAOYSA-N

