
 CHEMBL336499

 42 43  0  0  0  0  0  0  0  0999 V2000
    1.2688    0.7116   -0.9643 C   0  0  0  0  0
    2.4249    0.2521   -0.1024 C   0  0  0  0  0
    3.4179   -0.7519   -0.6566 C   0  0  0  0  0
    3.8602    0.6883   -0.4478 C   0  0  0  0  0
    4.0897    1.5990   -1.6347 C   0  0  0  0  0
    4.8572    0.9469    0.6619 C   0  0  0  0  0
    3.3135   -1.3187   -1.9630 N   0  0  0  0  0
    2.5227   -2.3837   -2.3002 C   0  0  0  0  0
    2.6360   -2.9504   -3.3807 O   0  0  0  0  0
    1.6608   -2.7405   -1.3143 O   0  0  0  0  0
    0.7436   -3.8081   -1.6022 C   0  0  0  0  0
    0.9726   -4.9780   -0.6470 C   0  0  0  0  0
    2.3877   -5.5603   -0.6741 C   0  0  0  0  0
    2.7024   -6.3197   -1.9150 C   0  0  0  0  0
    2.7603   -7.6734   -2.1735 C   0  0  0  0  0
    3.1378   -7.9130   -3.4691 N   0  0  0  0  0
    3.3129   -6.7271   -4.0025 C   0  0  0  0  0
    3.0631   -5.7307   -3.1033 N   0  0  0  0  0
    2.0231    0.1013    1.3492 C   0  0  0  0  0
    1.4754    0.6611   -2.0365 H   0  0  0  0  0
    1.0074    1.7460   -0.7179 H   0  0  0  0  0
    0.3878    0.0860   -0.7834 H   0  0  0  0  0
    3.8115   -1.4832    0.0482 H   0  0  0  0  0
    3.4645    1.3606   -2.4987 H   0  0  0  0  0
    5.1311    1.5320   -1.9680 H   0  0  0  0  0
    3.8897    2.6379   -1.3512 H   0  0  0  0  0
    4.8390    0.1771    1.4389 H   0  0  0  0  0
    4.6567    1.9149    1.1321 H   0  0  0  0  0
    5.8763    0.9661    0.2599 H   0  0  0  0  0
    3.9858   -1.0545   -2.6682 H   0  0  0  0  0
    0.7814   -4.1366   -2.6461 H   0  0  0  0  0
   -0.2632   -3.4091   -1.4389 H   0  0  0  0  0
    0.2335   -5.7615   -0.8534 H   0  0  0  0  0
    0.7860   -4.6210    0.3740 H   0  0  0  0  0
    2.4847   -6.2459    0.1785 H   0  0  0  0  0
    3.1350   -4.7751   -0.5133 H   0  0  0  0  0
    2.5596   -8.4897   -1.4916 H   0  0  0  0  0
    3.6152   -6.5223   -5.0204 H   0  0  0  0  0
    3.1120   -4.7363   -3.3026 H   0  0  0  0  0
    2.7692   -0.4346    1.9433 H   0  0  0  0  0
    1.0888   -0.4648    1.4305 H   0  0  0  0  0
    1.8677    1.0864    1.8007 H   0  0  0  0  0
  1  2  1  0  0  0
  1 20  1  0  0  0
  1 21  1  0  0  0
  1 22  1  0  0  0
  2  4  1  0  0  0
  2  3  1  0  0  0
  2 19  1  0  0  0
  3  4  1  0  0  0
  3  7  1  0  0  0
  3 23  1  0  0  0
  4  6  1  0  0  0
  4  5  1  0  0  0
  5 24  1  0  0  0
  5 25  1  0  0  0
  5 26  1  0  0  0
  6 27  1  0  0  0
  6 28  1  0  0  0
  6 29  1  0  0  0
  7  8  1  0  0  0
  7 30  1  0  0  0
  8 10  1  0  0  0
  8  9  2  0  0  0
 10 11  1  0  0  0
 11 12  1  0  0  0
 11 31  1  0  0  0
 11 32  1  0  0  0
 12 13  1  0  0  0
 12 33  1  0  0  0
 12 34  1  0  0  0
 13 14  1  0  0  0
 13 35  1  0  0  0
 13 36  1  0  0  0
 14 15  2  0  0  0
 14 18  1  0  0  0
 15 16  1  0  0  0
 15 37  1  0  0  0
 16 17  2  0  0  0
 17 18  1  0  0  0
 17 38  1  0  0  0
 18 39  1  0  0  0
 19 40  1  0  0  0
 19 41  1  0  0  0
 19 42  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL336499

>  <PubChem CID>
10869191

>  <Formula>
C14H23N3O2

>  <Molecular Weight>
265.357000

>  <IUPAC Name>
3-(1H-imidazol-5-yl)propyl N-(2,2,3,3-tetramethylcyclopropyl)carbamate

>  <XlogP>
2.7

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CC1(C(C1(C)C)NC(=O)OCCCC2=CN=CN2)C

>  <Isomeric SMILES>
CC1(C(C1(C)C)NC(=O)OCCCC2=CN=CN2)C

>  <InChI Std. ID>
InChI=1S/C14H23N3O2/c1-13(2)11(14(13,3)4)17-12(18)19-7-5-6-10-8-15-9-16-10/h8-9,11H,5-7H2,1-4H3,(H,15,16)(H,17,18)

>  <InChI Key>
CMPGZDKNYUIAPE-UHFFFAOYSA-N

