2200
 OpenBabel05082101102D

 39 41  0  0  1  0  0  0  0  0999 V2000
    5.4641   -0.0194    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5211    2.0684    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1391    2.0684    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    0.4806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    1.4806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.4806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8301    3.0194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.0194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8301    3.0194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.0194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.5194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -1.5194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.4806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.0194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.5194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -2.5194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.0194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.5194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -3.0194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.0194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5422   -0.1020    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9407    0.5882    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9966    0.9555    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1996    0.9555    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8949    3.6360    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2237    3.1483    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4366    3.1483    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7653    3.6360    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9315    1.8768    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0611   -1.2094    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -1.2094    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.1006    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -1.3294    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0611   -2.8294    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -2.8294    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    0.2906    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.1394    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -3.6394    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -1.3294    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  1  6  1  0  0  0  0
  1  8  1  0  0  0  0
  2  5  1  0  0  0  0
  2  7  1  0  0  0  0
  2 29  1  0  0  0  0
  3  5  2  0  0  0  0
  3  9  1  0  0  0  0
  4  5  1  0  0  0  0
  4 21  1  0  0  0  0
  4 22  1  0  0  0  0
  6 10  1  0  0  0  0
  6 23  1  0  0  0  0
  6 24  1  0  0  0  0
  7  9  1  0  0  0  0
  7 25  1  0  0  0  0
  7 26  1  0  0  0  0
  8 11  2  0  0  0  0
  8 12  1  0  0  0  0
  9 27  1  0  0  0  0
  9 28  1  0  0  0  0
 10 13  2  0  0  0  0
 10 14  1  0  0  0  0
 11 15  1  0  0  0  0
 11 30  1  0  0  0  0
 12 16  2  0  0  0  0
 12 31  1  0  0  0  0
 13 17  1  0  0  0  0
 13 32  1  0  0  0  0
 14 18  2  0  0  0  0
 14 33  1  0  0  0  0
 15 19  2  0  0  0  0
 15 34  1  0  0  0  0
 16 19  1  0  0  0  0
 16 35  1  0  0  0  0
 17 20  2  0  0  0  0
 17 36  1  0  0  0  0
 18 20  1  0  0  0  0
 18 37  1  0  0  0  0
 19 38  1  0  0  0  0
 20 39  1  0  0  0  0
M  END
>  <PUBCHEM_COMPOUND_CID>
2200

>  <PUBCHEM_COMPOUND_CANONICALIZED>
1

>  <PUBCHEM_CACTVS_COMPLEXITY>
314

>  <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
2

>  <PUBCHEM_CACTVS_HBOND_DONOR>
1

>  <PUBCHEM_CACTVS_ROTATABLE_BOND>
5

>  <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7AAAAAAAAAAAAAAAAAAAAAQAAAAAwYAAAAAAAAAABQAAAHAAQAAAADAjBGAQxwIPAAACgAiZiZACCAAEhAgAJiIAYZIgIYCLAmZGUIAhgkADIyAcQgAAOAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

>  <PUBCHEM_IUPAC_OPENEYE_NAME>
N-benzyl-N-(4,5-dihydro-1H-imidazol-2-ylmethyl)aniline

>  <PUBCHEM_IUPAC_CAS_NAME>
N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-N-(phenylmethyl)aniline

>  <PUBCHEM_IUPAC_NAME_MARKUP>
<I>N</I>-benzyl-<I>N</I>-(4,5-dihydro-1<I>H</I>-imidazol-2-ylmethyl)aniline

>  <PUBCHEM_IUPAC_NAME>
N-benzyl-N-(4,5-dihydro-1H-imidazol-2-ylmethyl)aniline

>  <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-N-(phenylmethyl)aniline

>  <PUBCHEM_IUPAC_TRADITIONAL_NAME>
benzyl-(2-imidazolin-2-ylmethyl)-phenyl-amine

>  <PUBCHEM_IUPAC_INCHI>
InChI=1S/C17H19N3/c1-3-7-15(8-4-1)13-20(14-17-18-11-12-19-17)16-9-5-2-6-10-16/h1-10H,11-14H2,(H,18,19)

>  <PUBCHEM_IUPAC_INCHIKEY>
REYFJDPCWQRWAA-UHFFFAOYSA-N

>  <PUBCHEM_XLOGP3_AA>
2.6

>  <PUBCHEM_EXACT_MASS>
265.157898

>  <PUBCHEM_MOLECULAR_FORMULA>
C17H19N3

>  <PUBCHEM_MOLECULAR_WEIGHT>
265.35

>  <PUBCHEM_OPENEYE_CAN_SMILES>
C1CN=C(N1)CN(CC2=CC=CC=C2)C3=CC=CC=C3

>  <PUBCHEM_OPENEYE_ISO_SMILES>
C1CN=C(N1)CN(CC2=CC=CC=C2)C3=CC=CC=C3

>  <PUBCHEM_CACTVS_TPSA>
27.6

>  <PUBCHEM_MONOISOTOPIC_WEIGHT>
265.157898

>  <PUBCHEM_TOTAL_CHARGE>
0

>  <PUBCHEM_HEAVY_ATOM_COUNT>
20

>  <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

>  <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

>  <PUBCHEM_BOND_DEF_STEREO_COUNT>
0

>  <PUBCHEM_BOND_UDEF_STEREO_COUNT>
0

>  <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

>  <PUBCHEM_COMPONENT_COUNT>
1

>  <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

>  <PUBCHEM_COORDINATE_TYPE>
1
5
255

>  <PUBCHEM_BONDANNOTATIONS>
10  13  8
10  14  8
11  15  8
12  16  8
13  17  8
14  18  8
15  19  8
16  19  8
17  20  8
18  20  8
8  11  8
8  12  8

$$$$
