
 SCHEMBL7976815

 29 30  0  0  0  0  0  0  0  0999 V2000
    0.8023    0.9846   -0.3795 C   0  0  0  0  0
   -0.4463    0.3507    0.1665 C   0  0  0  0  0
    0.8159   -0.4637    0.0359 C   0  0  0  0  0
    1.5737   -0.9026    1.2476 C   0  0  0  0  0
    2.9639   -0.7319    0.9839 O   0  0  0  0  0
    3.7703   -1.2326    2.0476 C   0  0  0  0  0
    5.2416   -0.9526    1.7467 C   0  0  0  0  0
    5.5513    0.5135    1.4288 C   0  0  0  0  0
    5.2473    1.4260    2.5623 C   0  0  0  0  0
    5.9794    1.8316    3.6560 C   0  0  0  0  0
    5.2484    2.6829    4.4443 N   0  0  0  0  0
    4.0909    2.8095    3.8387 C   0  0  0  0  0
    4.0443    2.0759    2.6894 N   0  0  0  0  0
    0.8442    1.2014   -1.4420 H   0  0  0  0  0
    1.3275    1.7042    0.2377 H   0  0  0  0  0
   -1.2550    0.1469   -0.5264 H   0  0  0  0  0
   -0.7766    0.6559    1.1522 H   0  0  0  0  0
    0.8726   -1.2030   -0.7555 H   0  0  0  0  0
    1.3562   -1.9573    1.4527 H   0  0  0  0  0
    1.2980   -0.3077    2.1266 H   0  0  0  0  0
    3.6188   -2.3140    2.1395 H   0  0  0  0  0
    3.4742   -0.7653    2.9930 H   0  0  0  0  0
    5.5369   -1.5473    0.8729 H   0  0  0  0  0
    5.8519   -1.2958    2.5911 H   0  0  0  0  0
    5.0050    0.8314    0.5325 H   0  0  0  0  0
    6.6165    0.6005    1.1811 H   0  0  0  0  0
    6.9909    1.5520    3.9213 H   0  0  0  0  0
    3.2587    3.4103    4.1803 H   0  0  0  0  0
    3.2597    2.0023    2.0557 H   0  0  0  0  0
  1  3  1  0  0  0
  1  2  1  0  0  0
  1 14  1  0  0  0
  1 15  1  0  0  0
  2  3  1  0  0  0
  2 16  1  0  0  0
  2 17  1  0  0  0
  3  4  1  0  0  0
  3 18  1  0  0  0
  4  5  1  0  0  0
  4 19  1  0  0  0
  4 20  1  0  0  0
  5  6  1  0  0  0
  6  7  1  0  0  0
  6 21  1  0  0  0
  6 22  1  0  0  0
  7  8  1  0  0  0
  7 23  1  0  0  0
  7 24  1  0  0  0
  8  9  1  0  0  0
  8 25  1  0  0  0
  8 26  1  0  0  0
  9 10  2  0  0  0
  9 13  1  0  0  0
 10 11  1  0  0  0
 10 27  1  0  0  0
 11 12  2  0  0  0
 12 13  1  0  0  0
 12 28  1  0  0  0
 13 29  1  0  0  0
M  END

>  <Chemical Name>
SCHEMBL7976815

>  <PubChem CID>
11480814

>  <Formula>
C10H16N2O

>  <Molecular Weight>
180.251000

>  <IUPAC Name>
5-[3-(cyclopropylmethoxy)propyl]-1H-imidazole

>  <XlogP>
1.3

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
C1CC1COCCCC2=CN=CN2

>  <Isomeric SMILES>
C1CC1COCCCC2=CN=CN2

>  <InChI Std. ID>
InChI=1S/C10H16N2O/c1(2-10-6-11-8-12-10)5-13-7-9-3-4-9/h6,8-9H,1-5,7H2,(H,11,12)

>  <InChI Key>
AOSGVBLCIFHNSQ-UHFFFAOYSA-N

