
 1-Naphthalenol, 5,6,7,8-tetrahydro-5-(1H-imidazol-5-yl)-

 30 32  0  0  0  0  0  0  0  0999 V2000
   -2.5081    0.7824   -0.2182 C   0  0  0  0  0
   -2.4840   -0.6354    0.3391 C   0  0  0  0  0
   -1.2634   -1.4233   -0.1692 C   0  0  0  0  0
    0.0256   -0.6192   -0.0808 C   0  0  0  0  0
    0.0197    0.7824    0.0761 C   0  0  0  0  0
   -1.2697    1.5544    0.2271 C   0  0  0  0  0
    1.2460    1.4595    0.1545 C   0  0  0  0  0
    2.4598    0.7822    0.0539 C   0  0  0  0  0
    2.4633   -0.5984   -0.1179 C   0  0  0  0  0
    1.2570   -1.2942   -0.1825 C   0  0  0  0  0
    1.2369    2.8149    0.3398 O   0  0  0  0  0
   -1.5108   -1.9632   -1.5504 C   0  0  0  0  0
   -1.2446   -1.4731   -2.8134 C   0  0  0  0  0
   -1.6721   -2.3455   -3.7808 N   0  0  0  0  0
   -2.1913   -3.3585   -3.1290 C   0  0  0  0  0
   -2.1165   -3.1766   -1.7775 N   0  0  0  0  0
   -3.4071    1.3056    0.1272 H   0  0  0  0  0
   -2.5607    0.7582   -1.3129 H   0  0  0  0  0
   -3.4181   -1.1514    0.0854 H   0  0  0  0  0
   -2.4458   -0.5795    1.4355 H   0  0  0  0  0
   -1.1484   -2.2833    0.5074 H   0  0  0  0  0
   -1.3778    1.8264    1.2848 H   0  0  0  0  0
   -1.2230    2.4849   -0.3513 H   0  0  0  0  0
    3.4062    1.3104    0.1085 H   0  0  0  0  0
    3.4043   -1.1355   -0.2031 H   0  0  0  0  0
    1.2773   -2.3732   -0.3243 H   0  0  0  0  0
    2.1536    3.1343    0.3431 H   0  0  0  0  0
   -0.7668   -0.5364   -3.0738 H   0  0  0  0  0
   -2.6308   -4.2404   -3.5746 H   0  0  0  0  0
   -2.4530   -3.8216   -1.0761 H   0  0  0  0  0
  1  2  1  0  0  0
  1  6  1  0  0  0
  1 17  1  0  0  0
  1 18  1  0  0  0
  2  3  1  0  0  0
  2 19  1  0  0  0
  2 20  1  0  0  0
  3  4  1  0  0  0
  3 12  1  0  0  0
  3 21  1  0  0  0
  4 10  1  0  0  0
  4  5  2  0  0  0
  5  7  1  0  0  0
  5  6  1  0  0  0
  6 22  1  0  0  0
  6 23  1  0  0  0
  7  8  2  0  0  0
  7 11  1  0  0  0
  8  9  1  0  0  0
  8 24  1  0  0  0
  9 10  2  0  0  0
  9 25  1  0  0  0
 10 26  1  0  0  0
 11 27  1  0  0  0
 12 13  2  0  0  0
 12 16  1  0  0  0
 13 14  1  0  0  0
 13 28  1  0  0  0
 14 15  2  0  0  0
 15 16  1  0  0  0
 15 29  1  0  0  0
 16 30  1  0  0  0
M  END

>  <Chemical Name>
1-Naphthalenol, 5,6,7,8-tetrahydro-5-(1H-imidazol-5-yl)-

>  <PubChem CID>
10775000

>  <Formula>
C13H14N2O

>  <Molecular Weight>
214.268000

>  <IUPAC Name>
5-(1H-imidazol-5-yl)-5,6,7,8-tetrahydronaphthalen-1-ol

>  <XlogP>
2.4

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
C1CC(C2=C(C1)C(=CC=C2)O)C3=CN=CN3

>  <Isomeric SMILES>
C1CC(C2=C(C1)C(=CC=C2)O)C3=CN=CN3

>  <InChI Std. ID>
InChI=1S/C13H14N2O/c16-13-6-2-3-9-10(4-1-5-11(9)13)12-7-14-8-15-12/h2-3,6-8,10,16H,1,4-5H2,(H,14,15)

>  <InChI Key>
URKMLGAUGBZDSY-UHFFFAOYSA-N

