
 SCHEMBL632463

 37 38  0  0  0  0  0  0  0  0999 V2000
    1.7820   -0.1762    1.1932 C   0  0  0  0  0
    3.2654   -0.0938    0.8081 C   0  0  0  0  0
    3.5625   -1.0645   -0.3362 C   0  0  0  0  0
    3.7273    1.2756    0.4549 N   0  0  0  0  0
    2.7576    2.1991   -0.1696 C   0  0  0  0  0
    2.2606    3.2498    0.7605 C   0  0  0  0  0
    1.3266    4.2525    0.6306 C   0  0  0  0  0
    1.2050    4.9657    1.7992 N   0  0  0  0  0
    2.0540    4.4084    2.6342 C   0  0  0  0  0
    2.7186    3.3710    2.0498 N   0  0  0  0  0
    5.0848    1.6284    0.5360 C   0  0  0  0  0
    5.5900    2.8312   -0.0118 C   0  0  0  0  0
    6.9454    3.2035    0.0619 C   0  0  0  0  0
    7.8338    2.3728    0.7458 C   0  0  0  0  0
    7.3777    1.1896    1.3130 C   0  0  0  0  0
    6.0296    0.8256    1.1988 C   0  0  0  0  0
    9.5075    2.7668    0.9142 Cl  0  0  0  0  0
    7.4650    4.3514   -0.4804 O   0  0  0  0  0
    6.6485    5.0869   -1.3825 C   0  0  0  0  0
    1.5179    0.5809    1.9375 H   0  0  0  0  0
    1.5615   -1.1574    1.6290 H   0  0  0  0  0
    1.1171   -0.0640    0.3307 H   0  0  0  0  0
    3.7850   -0.4353    1.7086 H   0  0  0  0  0
    3.0552   -0.7606   -1.2579 H   0  0  0  0  0
    3.2302   -2.0768   -0.0821 H   0  0  0  0  0
    4.6349   -1.1139   -0.5507 H   0  0  0  0  0
    1.8933    1.6516   -0.5592 H   0  0  0  0  0
    3.1690    2.6585   -1.0771 H   0  0  0  0  0
    0.7272    4.5015   -0.2362 H   0  0  0  0  0
    2.2283    4.7084    3.6595 H   0  0  0  0  0
    3.4241    2.7811    2.4709 H   0  0  0  0  0
    4.9136    3.5145   -0.5079 H   0  0  0  0  0
    8.0633    0.5372    1.8480 H   0  0  0  0  0
    5.7548   -0.1139    1.6653 H   0  0  0  0  0
    7.2676    5.8692   -1.8322 H   0  0  0  0  0
    5.8265    5.5769   -0.8511 H   0  0  0  0  0
    6.2747    4.4538   -2.1945 H   0  0  0  0  0
  1  2  1  0  0  0
  1 20  1  0  0  0
  1 21  1  0  0  0
  1 22  1  0  0  0
  2  4  1  0  0  0
  2  3  1  0  0  0
  2 23  1  0  0  0
  3 24  1  0  0  0
  3 25  1  0  0  0
  3 26  1  0  0  0
  4 11  1  0  0  0
  4  5  1  0  0  0
  5  6  1  0  0  0
  5 27  1  0  0  0
  5 28  1  0  0  0
  6  7  2  0  0  0
  6 10  1  0  0  0
  7  8  1  0  0  0
  7 29  1  0  0  0
  8  9  2  0  0  0
  9 10  1  0  0  0
  9 30  1  0  0  0
 10 31  1  0  0  0
 11 12  2  0  0  0
 11 16  1  0  0  0
 12 13  1  0  0  0
 12 32  1  0  0  0
 13 14  2  0  0  0
 13 18  1  0  0  0
 14 15  1  0  0  0
 14 17  1  0  0  0
 15 16  2  0  0  0
 15 33  1  0  0  0
 16 34  1  0  0  0
 18 19  1  0  0  0
 19 35  1  0  0  0
 19 36  1  0  0  0
 19 37  1  0  0  0
M  END

>  <Chemical Name>
SCHEMBL632463

>  <PubChem CID>
24948077

>  <Formula>
C14H18ClN3O

>  <Molecular Weight>
279.768000

>  <IUPAC Name>
4-chloro-N-(1H-imidazol-5-ylmethyl)-3-methoxy-N-propan-2-ylaniline

>  <XlogP>
3.1

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CC(C)N(CC1=CN=CN1)C2=CC(=C(C=C2)Cl)OC

>  <Isomeric SMILES>
CC(C)N(CC1=CN=CN1)C2=CC(=C(C=C2)Cl)OC

>  <InChI Std. ID>
InChI=1S/C14H18ClN3O/c1-10(2)18(8-11-7-16-9-17-11)12-4-5-13(15)14(6-12)19-3/h4-7,9-10H,8H2,1-3H3,(H,16,17)

>  <InChI Key>
ABQOOKCFXYOQJM-UHFFFAOYSA-N

