
 SCHEMBL7977259

 22 22  0  0  0  0  0  0  0  0999 V2000
    1.1015    2.2457    0.7683 C   0  0  0  0  0
    2.5162    2.1798    0.9006 O   0  0  0  0  0
    3.1045    1.3819   -0.1278 C   0  0  0  0  0
    4.6134    1.2861    0.0921 C   0  0  0  0  0
    5.3185    2.6346    0.2510 C   0  0  0  0  0
    5.2334    3.4808   -0.9688 C   0  0  0  0  0
    6.0354    3.5936   -2.0831 C   0  0  0  0  0
    5.5300    4.5218   -2.9566 N   0  0  0  0  0
    4.4421    4.9816   -2.3837 C   0  0  0  0  0
    4.2239    4.3891   -1.1736 N   0  0  0  0  0
    0.7056    2.8191    1.6099 H   0  0  0  0  0
    0.6632    1.2440    0.7906 H   0  0  0  0  0
    0.8325    2.7563   -0.1603 H   0  0  0  0  0
    2.8804    1.8216   -1.1063 H   0  0  0  0  0
    2.6737    0.3737   -0.1003 H   0  0  0  0  0
    5.0593    0.7174   -0.7322 H   0  0  0  0  0
    4.7911    0.7138    1.0110 H   0  0  0  0  0
    6.3762    2.4505    0.4774 H   0  0  0  0  0
    4.9151    3.1780    1.1143 H   0  0  0  0  0
    6.9478    3.0541   -2.3044 H   0  0  0  0  0
    3.7802    5.7345   -2.7908 H   0  0  0  0  0
    3.4501    4.5690   -0.5477 H   0  0  0  0  0
  1  2  1  0  0  0
  1 11  1  0  0  0
  1 12  1  0  0  0
  1 13  1  0  0  0
  2  3  1  0  0  0
  3  4  1  0  0  0
  3 14  1  0  0  0
  3 15  1  0  0  0
  4  5  1  0  0  0
  4 16  1  0  0  0
  4 17  1  0  0  0
  5  6  1  0  0  0
  5 18  1  0  0  0
  5 19  1  0  0  0
  6  7  2  0  0  0
  6 10  1  0  0  0
  7  8  1  0  0  0
  7 20  1  0  0  0
  8  9  2  0  0  0
  9 10  1  0  0  0
  9 21  1  0  0  0
 10 22  1  0  0  0
M  END

>  <Chemical Name>
SCHEMBL7977259

>  <PubChem CID>
11309559

>  <Formula>
C7H12N2O

>  <Molecular Weight>
140.186000

>  <IUPAC Name>
5-(3-methoxypropyl)-1H-imidazole

>  <XlogP>
0.500

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
COCCCC1=CN=CN1

>  <Isomeric SMILES>
COCCCC1=CN=CN1

>  <InChI Std. ID>
InChI=1S/C7H12N2O/c1-10-4-2-3-7-5-8-6-9-7/h5-6H,2-4H2,1H3,(H,8,9)

>  <InChI Key>
CCKHGJLPFJOBON-UHFFFAOYSA-N

