
 CHEMBL1632414

 37 39  0  0  0  0  0  0  0  0999 V2000
    0.0360    0.1196   -0.5438 C   0  0  0  0  0
    1.3913   -0.0253   -0.0222 N   0  0  0  0  0
    1.9854   -1.3254   -0.3491 C   0  0  0  0  0
    2.3974   -1.4791   -1.8193 C   0  0  0  0  0
    3.2425   -0.3168   -2.3605 C   0  0  0  0  0
    2.6603    1.0360   -1.9032 C   0  0  0  0  0
    2.2820    1.0619   -0.4246 C   0  0  0  0  0
    4.7802   -0.3674   -2.1907 C   0  0  0  0  0
    5.5963    0.3944   -2.8772 N   0  0  0  0  0
    4.9357    1.2105   -3.8027 O   0  0  0  0  0
    5.4506   -1.2911   -1.2888 C   0  0  0  0  0
    4.8942   -2.2509   -0.5786 N   0  0  0  0  0
    5.9186   -2.9125    0.0488 C   0  0  0  0  0
    7.1442   -2.3497   -0.2809 C   0  0  0  0  0
    6.8195   -1.3154   -1.1169 N   0  0  0  0  0
    8.3653   -2.8349    0.1952 C   0  0  0  0  0
    8.3034   -3.9446    1.0471 C   0  0  0  0  0
    7.0864   -4.5297    1.4044 C   0  0  0  0  0
    5.8778   -4.0188    0.9100 C   0  0  0  0  0
    9.7696   -4.6056    1.6656 Cl  0  0  0  0  0
   -0.3953    1.0768   -0.2288 H   0  0  0  0  0
   -0.6144   -0.6620   -0.1338 H   0  0  0  0  0
   -0.0199    0.0660   -1.6358 H   0  0  0  0  0
    1.2927   -2.1336   -0.0797 H   0  0  0  0  0
    2.8454   -1.4624    0.3120 H   0  0  0  0  0
    2.8964   -2.4408   -1.9749 H   0  0  0  0  0
    1.4808   -1.5376   -2.4214 H   0  0  0  0  0
    3.1117   -0.3620   -3.4530 H   0  0  0  0  0
    3.3557    1.8618   -2.0869 H   0  0  0  0  0
    1.7711    1.2545   -2.5090 H   0  0  0  0  0
    3.1964    1.0120    0.1796 H   0  0  0  0  0
    1.8253    2.0286   -0.1822 H   0  0  0  0  0
    5.6666    1.7104   -4.2129 H   0  0  0  0  0
    7.4556   -0.6820   -1.5814 H   0  0  0  0  0
    9.3100   -2.3823   -0.0828 H   0  0  0  0  0
    7.0661   -5.3907    2.0679 H   0  0  0  0  0
    4.9275   -4.4680    1.1767 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  7  1  0  0  0
  2  3  1  0  0  0
  3  4  1  0  0  0
  3 24  1  0  0  0
  3 25  1  0  0  0
  4  5  1  0  0  0
  4 26  1  0  0  0
  4 27  1  0  0  0
  5  6  1  0  0  0
  5  8  1  0  0  0
  5 28  1  0  0  0
  6  7  1  0  0  0
  6 29  1  0  0  0
  6 30  1  0  0  0
  7 31  1  0  0  0
  7 32  1  0  0  0
  8 11  1  0  0  0
  8  9  2  0  0  0
  9 10  1  0  0  0
 10 33  1  0  0  0
 11 12  2  0  0  0
 11 15  1  0  0  0
 12 13  1  0  0  0
 13 19  1  0  0  0
 13 14  2  0  0  0
 14 15  1  0  0  0
 14 16  1  0  0  0
 15 34  1  0  0  0
 16 17  2  0  0  0
 16 35  1  0  0  0
 17 18  1  0  0  0
 17 20  1  0  0  0
 18 19  2  0  0  0
 18 36  1  0  0  0
 19 37  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL1632414

>  <PubChem CID>
136192874

>  <Formula>
C14H17ClN4O

>  <Molecular Weight>
292.767000

>  <IUPAC Name>
(NZ)-N-[(6-chloro-1H-benzimidazol-2-yl)-(1-methylpiperidin-4-yl)methylidene]hydroxylamine

>  <XlogP>
2.9

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CN1CCC(CC1)C(=NO)C2=NC3=C(N2)C=C(C=C3)Cl

>  <Isomeric SMILES>
CN1CCC(CC1)/C(=N/O)/C2=NC3=C(N2)C=C(C=C3)Cl

>  <InChI Std. ID>
InChI=1S/C14H17ClN4O/c1-19-6-4-9(5-7-19)13(18-20)14-16-11-3-2-10(15)8-12(11)17-14/h2-3,8-9,20H,4-7H2,1H3,(H,16,17)/b18-13-

>  <InChI Key>
ZKDRIYJOVIMHFC-AQTBWJFISA-N

