36354
  -OEChem-04242418182D

 30 31  0     0  0  0  0  0  0999 V2000
    5.4641   -0.5000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.5000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7026    1.9945    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5116    0.5933    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6808    2.2024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1808    1.3364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2472    2.4546    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4892    2.7921    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5956    0.8757    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6823    1.7008    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2418    2.4094    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2554    1.1077    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6540    0.4174    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    2.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -2.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -2.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    3.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    2.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  1  0  0  0  0
  2 12  1  0  0  0  0
  3  6  1  0  0  0  0
  3  9  1  0  0  0  0
  3 10  1  0  0  0  0
  4  6  1  0  0  0  0
  4  7  1  0  0  0  0
  4 22  1  0  0  0  0
  5  6  2  0  0  0  0
  5  8  1  0  0  0  0
  7  8  1  0  0  0  0
  7 18  1  0  0  0  0
  7 19  1  0  0  0  0
  8 20  1  0  0  0  0
  8 21  1  0  0  0  0
  9 11  2  0  0  0  0
  9 12  1  0  0  0  0
 10 13  1  0  0  0  0
 10 23  1  0  0  0  0
 10 24  1  0  0  0  0
 11 14  1  0  0  0  0
 12 15  2  0  0  0  0
 13 17  2  0  0  0  0
 13 25  1  0  0  0  0
 14 16  2  0  0  0  0
 14 26  1  0  0  0  0
 15 16  1  0  0  0  0
 15 27  1  0  0  0  0
 16 28  1  0  0  0  0
 17 29  1  0  0  0  0
 17 30  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
36354

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
296

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
1

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
4

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBzAAAGAAAAAAAAAAAAAAAAAQAAAAAwAAAAAAAAAAABAAAAHAIQAAAACArBECQxwIPAAACgACRCZACCAAEhBQAJiIAIRoiIYCLBm5HUIAhokALIyCcQAAAAAAAAAACAABAAAAAAAQAAIAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
N-allyl-N-(2,6-dichlorophenyl)-4,5-dihydro-1H-imidazol-2-amine

> <PUBCHEM_IUPAC_CAS_NAME>
N-(2,6-dichlorophenyl)-N-prop-2-enyl-4,5-dihydro-1H-imidazol-2-amine

> <PUBCHEM_IUPAC_NAME_MARKUP>
<I>N</I>-(2,6-dichlorophenyl)-<I>N</I>-prop-2-enyl-4,5-dihydro-1<I>H</I>-imidazol-2-amine

> <PUBCHEM_IUPAC_NAME>
N-(2,6-dichlorophenyl)-N-prop-2-enyl-4,5-dihydro-1H-imidazol-2-amine

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
N-[2,6-bis(chloranyl)phenyl]-N-prop-2-enyl-4,5-dihydro-1H-imidazol-2-amine

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
allyl-(2,6-dichlorophenyl)-(2-imidazolin-2-yl)amine

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C12H13Cl2N3/c1-2-8-17(12-15-6-7-16-12)11-9(13)4-3-5-10(11)14/h2-5H,1,6-8H2,(H,15,16)

> <PUBCHEM_IUPAC_INCHIKEY>
OXTYVEUAQHPPMV-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
2.7

> <PUBCHEM_EXACT_MASS>
269.0486528

> <PUBCHEM_MOLECULAR_FORMULA>
C12H13Cl2N3

> <PUBCHEM_MOLECULAR_WEIGHT>
270.15

> <PUBCHEM_OPENEYE_CAN_SMILES>
C=CCN(C1=C(C=CC=C1Cl)Cl)C2=NCCN2

> <PUBCHEM_OPENEYE_ISO_SMILES>
C=CCN(C1=C(C=CC=C1Cl)Cl)C2=NCCN2

> <PUBCHEM_CACTVS_TPSA>
27.6

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
269.0486528

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
17

> <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>
11  14  8
12  15  8
14  16  8
15  16  8
9  11  8
9  12  8

$$$$