
 AC1LCZE6

 46 47  0  0  0  0  0  0  0  0999 V2000
    0.1964   -0.7012    3.7153 H   0  0  0  0  0
   -2.2525   -1.2918    0.1443 C   0  0  0  0  0
   -2.2799    0.1139    0.0029 C   0  0  0  0  0
   -1.0806    0.8454   -0.0849 C   0  0  0  0  0
    0.1246    0.1377   -0.0324 C   0  0  0  0  0
    0.1492   -1.2283    0.1060 C   0  0  0  0  0
   -1.0263   -1.9784    0.1986 C   0  0  0  0  0
    1.4324   -1.6504    0.1065 N   0  0  0  0  0
    2.1713   -0.5200   -0.0370 C   0  0  0  0  0
    3.4536   -0.5287   -0.1280 N   0  0  0  0  0
    1.3948    0.5992   -0.1129 N   0  0  0  0  0
    1.8342    1.9941   -0.2846 C   0  0  0  0  0
    2.5821    2.5147    0.9603 C   0  0  0  0  0
    3.1166    3.9015    0.7205 C   0  0  0  0  0
    4.4474    4.2686    0.7286 C   0  0  0  0  0
    4.4678    5.6180    0.4580 C   0  0  0  0  0
    3.1504    5.9993    0.3006 C   0  0  0  0  0
    2.3711    4.9528    0.4623 O   0  0  0  0  0
    1.7471    2.4967    2.0908 O   0  0  0  0  0
    1.9363   -3.0284    0.1887 C   0  0  0  0  0
    2.8645   -3.2074    1.3636 C   0  0  0  0  0
    4.2001   -3.5944    1.1568 C   0  0  0  0  0
    5.0601   -3.7687    2.2445 C   0  0  0  0  0
    4.5953   -3.5585    3.5463 C   0  0  0  0  0
    3.2672   -3.1736    3.7600 C   0  0  0  0  0
    2.4028   -2.9992    2.6732 C   0  0  0  0  0
    5.6774   -3.7803    4.9093 Cl  0  0  0  0  0
    0.2570   -0.0871   -3.5627 Cl  0  0  0  0  0
   -3.1811   -1.8444    0.2073 H   0  0  0  0  0
   -3.2298    0.6306   -0.0417 H   0  0  0  0  0
   -1.1100    1.9194   -0.1969 H   0  0  0  0  0
   -1.0116   -3.0537    0.3014 H   0  0  0  0  0
    4.0020    0.3290   -0.2711 H   0  0  0  0  0
    0.9661    2.6608   -0.4635 H   0  0  0  0  0
    2.4810    2.0554   -1.1865 H   0  0  0  0  0
    3.4470    1.8597    1.1782 H   0  0  0  0  0
    5.3019    3.6293    0.9074 H   0  0  0  0  0
    5.3415    6.2517    0.3828 H   0  0  0  0  0
    2.7983    6.9976    0.0778 H   0  0  0  0  0
    0.9929    3.1212    1.9229 H   0  0  0  0  0
    2.4649   -3.2618   -0.7606 H   0  0  0  0  0
    1.1042   -3.7532    0.2874 H   0  0  0  0  0
    4.5738   -3.7623    0.1544 H   0  0  0  0  0
    6.0866   -4.0682    2.0749 H   0  0  0  0  0
    2.9050   -3.0117    4.7672 H   0  0  0  0  0
    1.3764   -2.7050    2.8488 H   0  0  0  0  0
  2  3  2  0  0  0
  2  7  1  0  0  0
  2 29  1  0  0  0
  3  4  1  0  0  0
  3 30  1  0  0  0
  4  5  2  0  0  0
  4 31  1  0  0  0
  5 11  1  0  0  0
  5  6  1  0  0  0
  6  8  1  0  0  0
  6  7  2  0  0  0
  7 32  1  0  0  0
  8  9  1  0  0  0
  8 20  1  0  0  0
  9 11  1  0  0  0
  9 10  2  0  0  0
 10 33  1  0  0  0
 11 12  1  0  0  0
 12 13  1  0  0  0
 12 34  1  0  0  0
 12 35  1  0  0  0
 13 19  1  0  0  0
 13 14  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
 16 38  1  0  0  0
 17 18  1  0  0  0
 17 39  1  0  0  0
 19 40  1  0  0  0
 20 21  1  0  0  0
 20 41  1  0  0  0
 20 42  1  0  0  0
 21 22  2  0  0  0
 21 26  1  0  0  0
 22 23  1  0  0  0
 22 43  1  0  0  0
 23 24  2  0  0  0
 23 44  1  0  0  0
 24 25  1  0  0  0
 24 27  1  0  0  0
 25 26  2  0  0  0
 25 45  1  0  0  0
 26 46  1  0  0  0
M  CHG  2   1   1  28  -1
M  END

>  <Chemical Name>
AC1LCZE6

>  <PubChem CID>
658755

>  <Formula>
C20H19Cl2N3O2

>  <Molecular Weight>
404.291000

>  <IUPAC Name>
2-[3-[(4-chlorophenyl)methyl]-2-iminobenzimidazol-1-yl]-1-(furan-2-yl)ethanol;hydron;chloride

>  <XlogP>
-10000

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
[H+].C1=CC=C2C(=C1)N(C(=N)N2CC(C3=CC=CO3)O)CC4=CC=C(C=C4)Cl.[Cl-]

>  <Isomeric SMILES>
[H+].C1=CC=C2C(=C1)N(C(=N)N2CC(C3=CC=CO3)O)CC4=CC=C(C=C4)Cl.[Cl-]

>  <InChI Std. ID>
InChI=1S/C20H18ClN3O2.ClH/c21-15-9-7-14(8-10-15)12-23-16-4-1-2-5-17(16)24(20(23)22)13-18(25)19-6-3-11-26-19;/h1-11,18,22,25H,12-13H2;1H

>  <InChI Key>
BBTKZKZSOPULKP-UHFFFAOYSA-N

