2765
  -OEChem-04252423512D

 32 34  0     0  0  0  0  0  0999 V2000
    5.3147    0.0670    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6691   -0.3397    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4782    1.0615    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.0468    1.0670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5468    1.9330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5468    1.9330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0468    0.0670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1808   -0.4330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9128   -0.4330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1808   -1.4330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9128   -1.4330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4487   -0.4330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0468   -1.9330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5827    0.0670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.4034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5000    1.2694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6456    0.9065    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1294    1.7210    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6544    2.5436    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4391    2.5436    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9642    1.7210    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4497   -0.1230    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6438   -1.7430    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4497   -1.7430    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0502   -0.9080    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8472   -0.9080    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0468   -2.5530    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4984    0.7678    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5851   -0.0574    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6916    1.8591    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9336    1.5216    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5402   -0.9462    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0  0  0  0
  1 12  1  0  0  0  0
  2 14  1  0  0  0  0
  2 15  1  0  0  0  0
  2 32  1  0  0  0  0
  3 14  2  0  0  0  0
  3 16  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4  7  1  0  0  0  0
  4 17  1  0  0  0  0
  5  6  1  0  0  0  0
  5 18  1  0  0  0  0
  5 19  1  0  0  0  0
  6 20  1  0  0  0  0
  6 21  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  2  0  0  0  0
  8 10  2  0  0  0  0
  9 11  1  0  0  0  0
  9 22  1  0  0  0  0
 10 13  1  0  0  0  0
 10 23  1  0  0  0  0
 11 13  2  0  0  0  0
 11 24  1  0  0  0  0
 12 14  1  0  0  0  0
 12 25  1  0  0  0  0
 12 26  1  0  0  0  0
 13 27  1  0  0  0  0
 15 16  1  0  0  0  0
 15 28  1  0  0  0  0
 15 29  1  0  0  0  0
 16 30  1  0  0  0  0
 16 31  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
2765

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
273

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
2

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
4

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceBzIAAAAAAAAAAAAAAAGAAAAQAAAAAwAAAAAAAAAAABAAAAHgAQAAAADQThmAYxBoLABACgAiJiJAQCCAEgIAAJiIAeCIgOZiKEORqTOCCk0BGYqAeAwOAOgAAAAAAIAAAAAAAAABAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
2-[(2-cyclopropylphenoxy)methyl]-4,5-dihydro-1H-imidazole

> <PUBCHEM_IUPAC_CAS_NAME>
2-[(2-cyclopropylphenoxy)methyl]-4,5-dihydro-1H-imidazole

> <PUBCHEM_IUPAC_NAME_MARKUP>
2-[(2-cyclopropylphenoxy)methyl]-4,5-dihydro-1<I>H</I>-imidazole

> <PUBCHEM_IUPAC_NAME>
2-[(2-cyclopropylphenoxy)methyl]-4,5-dihydro-1H-imidazole

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
2-[(2-cyclopropylphenoxy)methyl]-4,5-dihydro-1H-imidazole

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
2-[(2-cyclopropylphenoxy)methyl]-2-imidazoline

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C13H16N2O/c1-2-4-12(11(3-1)10-5-6-10)16-9-13-14-7-8-15-13/h1-4,10H,5-9H2,(H,14,15)

> <PUBCHEM_IUPAC_INCHIKEY>
YAORIDZYZDUZCM-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
1.8

> <PUBCHEM_EXACT_MASS>
216.126263138

> <PUBCHEM_MOLECULAR_FORMULA>
C13H16N2O

> <PUBCHEM_MOLECULAR_WEIGHT>
216.28

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1CC1C2=CC=CC=C2OCC3=NCCN3

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1CC1C2=CC=CC=C2OCC3=NCCN3

> <PUBCHEM_CACTVS_TPSA>
33.6

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
216.126263138

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
16

> <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
11  13  8
7  8  8
7  9  8
8  10  8
9  11  8

$$$$