
 (3,4-difluoro-phenyl)-ethyl-(3h-imidazol-4-ylmethyl)-amine

 30 31  0  0  0  0  0  0  0  0999 V2000
    4.2808   -0.6643    1.2765 C   0  0  0  0  0
    4.4847   -0.4282   -0.2135 C   0  0  0  0  0
    5.2343    0.8165   -0.4515 N   0  0  0  0  0
    4.3946    2.0019   -0.6978 C   0  0  0  0  0
    4.0941    2.2517   -2.1323 C   0  0  0  0  0
    2.9929    2.7801   -2.7691 C   0  0  0  0  0
    3.1838    2.8244   -4.1266 N   0  0  0  0  0
    4.3811    2.3187   -4.3243 C   0  0  0  0  0
    4.9647    1.9476   -3.1489 N   0  0  0  0  0
    6.6232    0.8666   -0.4117 C   0  0  0  0  0
    7.4061   -0.2746   -0.1539 C   0  0  0  0  0
    8.8019   -0.2271   -0.1408 C   0  0  0  0  0
    9.4676    0.9600   -0.3818 C   0  0  0  0  0
    8.7432    2.1111   -0.6344 C   0  0  0  0  0
    7.3410    2.0591   -0.6468 C   0  0  0  0  0
   10.8062    1.0052   -0.3766 F   0  0  0  0  0
    9.4919   -1.3501    0.1037 F   0  0  0  0  0
    3.6913   -1.5727    1.4389 H   0  0  0  0  0
    3.7469    0.1732    1.7392 H   0  0  0  0  0
    5.2330   -0.7809    1.8039 H   0  0  0  0  0
    3.4989   -0.3656   -0.6906 H   0  0  0  0  0
    4.9669   -1.2899   -0.6864 H   0  0  0  0  0
    4.8232    2.9019   -0.2419 H   0  0  0  0  0
    3.4389    1.8753   -0.1693 H   0  0  0  0  0
    2.0704    3.1336   -2.3240 H   0  0  0  0  0
    4.8668    2.1944   -5.2823 H   0  0  0  0  0
    5.8689    1.5081   -3.0379 H   0  0  0  0  0
    6.9610   -1.2422    0.0482 H   0  0  0  0  0
    9.2639    3.0453   -0.8209 H   0  0  0  0  0
    6.8286    2.9946   -0.8551 H   0  0  0  0  0
  1  2  1  0  0  0
  1 18  1  0  0  0
  1 19  1  0  0  0
  1 20  1  0  0  0
  2  3  1  0  0  0
  2 21  1  0  0  0
  2 22  1  0  0  0
  3 10  1  0  0  0
  3  4  1  0  0  0
  4  5  1  0  0  0
  4 23  1  0  0  0
  4 24  1  0  0  0
  5  6  2  0  0  0
  5  9  1  0  0  0
  6  7  1  0  0  0
  6 25  1  0  0  0
  7  8  2  0  0  0
  8  9  1  0  0  0
  8 26  1  0  0  0
  9 27  1  0  0  0
 10 11  2  0  0  0
 10 15  1  0  0  0
 11 12  1  0  0  0
 11 28  1  0  0  0
 12 13  2  0  0  0
 12 17  1  0  0  0
 13 14  1  0  0  0
 13 16  1  0  0  0
 14 15  2  0  0  0
 14 29  1  0  0  0
 15 30  1  0  0  0
M  END

>  <Chemical Name>
(3,4-difluoro-phenyl)-ethyl-(3h-imidazol-4-ylmethyl)-amine

>  <PubChem CID>
24947147

>  <Formula>
C12H13F2N3

>  <Molecular Weight>
237.254000

>  <IUPAC Name>
N-ethyl-3,4-difluoro-N-(1H-imidazol-5-ylmethyl)aniline

>  <XlogP>
2.3

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CCN(CC1=CN=CN1)C2=CC(=C(C=C2)F)F

>  <Isomeric SMILES>
CCN(CC1=CN=CN1)C2=CC(=C(C=C2)F)F

>  <InChI Std. ID>
InChI=1S/C12H13F2N3/c1-2-17(7-9-6-15-8-16-9)10-3-4-11(13)12(14)5-10/h3-6,8H,2,7H2,1H3,(H,15,16)

>  <InChI Key>
BKPYZFRTPMOBCU-UHFFFAOYSA-N

