
 SMR000111657

 38 40  0  0  0  0  0  0  0  0999 V2000
   -0.6380    1.1699    0.8025 C   0  0  0  0  0
    0.2250    0.8961   -0.4304 C   0  0  0  0  0
   -0.5601    1.0893   -1.7291 C   0  0  0  0  0
    1.4810    1.6449   -0.4272 N   0  0  0  0  0
    1.6134    3.0219   -0.4380 C   0  0  0  0  0
    0.7006    4.0867   -0.4578 C   0  0  0  0  0
    1.2180    5.3880   -0.4489 C   0  0  0  0  0
    2.5920    5.6193   -0.4241 C   0  0  0  0  0
    3.4913    4.5489   -0.4121 C   0  0  0  0  0
    2.9888    3.2387   -0.4220 C   0  0  0  0  0
    3.6749    2.0568   -0.4181 N   0  0  0  0  0
    2.7569    1.1023   -0.4329 C   0  0  0  0  0
    3.1000   -0.3688   -0.4020 C   0  0  0  0  0
    2.5726   -1.2046   -1.5489 C   0  0  0  0  0
    2.5174   -0.7182   -2.8647 C   0  0  0  0  0
    1.9796   -1.4993   -3.8896 C   0  0  0  0  0
    1.5187   -2.7861   -3.6204 C   0  0  0  0  0
    1.6074   -3.3004   -2.3292 C   0  0  0  0  0
    2.1353   -2.5174   -1.3016 C   0  0  0  0  0
    4.5268   -0.4763   -0.4132 O   0  0  0  0  0
   -0.0578    1.0417    1.7228 H   0  0  0  0  0
   -1.4820    0.4719    0.8371 H   0  0  0  0  0
   -1.0528    2.1815    0.8063 H   0  0  0  0  0
    0.4882   -0.1623   -0.3698 H   0  0  0  0  0
   -0.9965    2.0900   -1.8013 H   0  0  0  0  0
   -1.3813    0.3669   -1.7908 H   0  0  0  0  0
    0.0789    0.9465   -2.6067 H   0  0  0  0  0
   -0.3717    3.9315   -0.4795 H   0  0  0  0  0
    0.5336    6.2340   -0.4613 H   0  0  0  0  0
    2.9707    6.6383   -0.4159 H   0  0  0  0  0
    4.5623    4.7180   -0.3955 H   0  0  0  0  0
    2.7537   -0.7737    0.5564 H   0  0  0  0  0
    2.8868    0.2789   -3.0986 H   0  0  0  0  0
    1.9270   -1.1037   -4.9005 H   0  0  0  0  0
    1.1060   -3.3947   -4.4207 H   0  0  0  0  0
    1.2724   -4.3137   -2.1228 H   0  0  0  0  0
    2.2092   -2.9398   -0.3014 H   0  0  0  0  0
    4.8531    0.4452   -0.3563 H   0  0  0  0  0
  1  2  1  0  0  0
  1 21  1  0  0  0
  1 22  1  0  0  0
  1 23  1  0  0  0
  2  4  1  0  0  0
  2  3  1  0  0  0
  2 24  1  0  0  0
  3 25  1  0  0  0
  3 26  1  0  0  0
  3 27  1  0  0  0
  4 12  1  0  0  0
  4  5  1  0  0  0
  5 10  1  0  0  0
  5  6  2  0  0  0
  6  7  1  0  0  0
  6 28  1  0  0  0
  7  8  2  0  0  0
  7 29  1  0  0  0
  8  9  1  0  0  0
  8 30  1  0  0  0
  9 10  2  0  0  0
  9 31  1  0  0  0
 10 11  1  0  0  0
 11 12  2  0  0  0
 12 13  1  0  0  0
 13 20  1  0  0  0
 13 14  1  0  0  0
 13 32  1  0  0  0
 14 15  2  0  0  0
 14 19  1  0  0  0
 15 16  1  0  0  0
 15 33  1  0  0  0
 16 17  2  0  0  0
 16 34  1  0  0  0
 17 18  1  0  0  0
 17 35  1  0  0  0
 18 19  2  0  0  0
 18 36  1  0  0  0
 19 37  1  0  0  0
 20 38  1  0  0  0
M  END

>  <Chemical Name>
SMR000111657

>  <PubChem CID>
2851813

>  <Formula>
C17H18N2O

>  <Molecular Weight>
266.344000

>  <IUPAC Name>
phenyl-(1-propan-2-ylbenzimidazol-2-yl)methanol

>  <XlogP>
3.0

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
CC(C)N1C2=CC=CC=C2N=C1C(C3=CC=CC=C3)O

>  <Isomeric SMILES>
CC(C)N1C2=CC=CC=C2N=C1C(C3=CC=CC=C3)O

>  <InChI Std. ID>
InChI=1S/C17H18N2O/c1-12(2)19-15-11-7-6-10-14(15)18-17(19)16(20)13-8-4-3-5-9-13/h3-12,16,20H,1-2H3

>  <InChI Key>
CCGMKVCKAXTOGX-UHFFFAOYSA-N

