4436
 OpenBabel05082101102D

 30 32  0  0  0  0  0  0  0  0999 V2000
    2.6691   -0.7594    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4782   -2.1606    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4487   -0.6661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4487    0.3339    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5827   -1.1661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3147    0.8339    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.5025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5000   -2.3686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3147    1.8339    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5827    0.8339    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2087    0.2992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4487    2.3339    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5827    1.8339    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2087    2.3686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1147    0.8131    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1147    1.8547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6608   -1.2487    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0593   -0.5585    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5851   -1.0418    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4984   -1.8670    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9336   -2.6207    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6916   -2.9582    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5402   -0.1529    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0457    0.5239    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2015   -0.3207    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4487    2.9539    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0457    2.1439    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2015    2.9885    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6505    0.5010    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6505    2.1668    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1  7  1  0  0  0  0
  1 23  1  0  0  0  0
  2  5  2  0  0  0  0
  2  8  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3 17  1  0  0  0  0
  3 18  1  0  0  0  0
  4  6  1  0  0  0  0
  4 10  2  0  0  0  0
  6  9  1  0  0  0  0
  6 11  2  0  0  0  0
  7  8  1  0  0  0  0
  7 19  1  0  0  0  0
  7 20  1  0  0  0  0
  8 21  1  0  0  0  0
  8 22  1  0  0  0  0
  9 12  1  0  0  0  0
  9 14  2  0  0  0  0
 10 13  1  0  0  0  0
 10 24  1  0  0  0  0
 11 15  1  0  0  0  0
 11 25  1  0  0  0  0
 12 13  2  0  0  0  0
 12 26  1  0  0  0  0
 13 27  1  0  0  0  0
 14 16  1  0  0  0  0
 14 28  1  0  0  0  0
 15 16  2  0  0  0  0
 15 29  1  0  0  0  0
 16 30  1  0  0  0  0
M  END
>  <PUBCHEM_COMPOUND_CID>
4436

>  <PUBCHEM_COMPOUND_CANONICALIZED>
1

>  <PUBCHEM_CACTVS_COMPLEXITY>
272

>  <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
1

>  <PUBCHEM_CACTVS_HBOND_DONOR>
1

>  <PUBCHEM_CACTVS_ROTATABLE_BOND>
2

>  <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBzAAAAAAAAAAAAAAAAAAAAAQAAAAAwYAAAAAAAAADBUAAAHAAQAAAADADBGAQxAMLAAACgAiJiJAACAAEgAAAJiIA4AIgIYCKAmRGUIAAgkACIiAcQgMAOgAACAAAQAAAAAAQAACAAAAAAAAAAAA==

>  <PUBCHEM_IUPAC_OPENEYE_NAME>
2-(1-naphthylmethyl)-4,5-dihydro-1H-imidazole

>  <PUBCHEM_IUPAC_CAS_NAME>
2-(1-naphthalenylmethyl)-4,5-dihydro-1H-imidazole

>  <PUBCHEM_IUPAC_NAME_MARKUP>
2-(naphthalen-1-ylmethyl)-4,5-dihydro-1<I>H</I>-imidazole

>  <PUBCHEM_IUPAC_NAME>
2-(naphthalen-1-ylmethyl)-4,5-dihydro-1H-imidazole

>  <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
2-(naphthalen-1-ylmethyl)-4,5-dihydro-1H-imidazole

>  <PUBCHEM_IUPAC_TRADITIONAL_NAME>
2-(1-naphthylmethyl)-2-imidazoline

>  <PUBCHEM_IUPAC_INCHI>
InChI=1S/C14H14N2/c1-2-7-13-11(4-1)5-3-6-12(13)10-14-15-8-9-16-14/h1-7H,8-10H2,(H,15,16)

>  <PUBCHEM_IUPAC_INCHIKEY>
CNIIGCLFLJGOGP-UHFFFAOYSA-N

>  <PUBCHEM_XLOGP3_AA>
2.1

>  <PUBCHEM_EXACT_MASS>
210.115698

>  <PUBCHEM_MOLECULAR_FORMULA>
C14H14N2

>  <PUBCHEM_MOLECULAR_WEIGHT>
210.27

>  <PUBCHEM_OPENEYE_CAN_SMILES>
C1CN=C(N1)CC2=CC=CC3=CC=CC=C32

>  <PUBCHEM_OPENEYE_ISO_SMILES>
C1CN=C(N1)CC2=CC=CC3=CC=CC=C32

>  <PUBCHEM_CACTVS_TPSA>
24.4

>  <PUBCHEM_MONOISOTOPIC_WEIGHT>
210.115698

>  <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  15  8
12  13  8
14  16  8
15  16  8
4  10  8
4  6  8
6  11  8
6  9  8
9  12  8
9  14  8

$$$$
