761923
  -OEChem-05042415382D

 34 36  0     0  0  0  0  0  0999 V2000
    2.0000    3.7136    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.6714    0.7364    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7179   -1.9089    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7179   -3.5184    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3015   -2.7136    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0286   -0.9584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7717   -2.2136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7717   -3.2136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3015   -2.7136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3607   -0.2141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9056   -1.7136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9056   -3.7136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0396   -2.2136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0396   -3.2136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0035    1.4807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0250    1.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3142    2.4313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3572    2.0188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6464    3.1756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6678    2.9693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5755   -1.2504    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4111   -0.4705    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8138    0.0779    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9782   -0.7020    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9056   -1.0936    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9056   -4.3336    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5027   -1.9036    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5027   -3.5236    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6115   -3.2506    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6115   -2.1767    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8324    0.6852    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9209    2.5591    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7505    1.8910    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8390    3.7649    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 20  1  0  0  0  0
  2 10  1  0  0  0  0
  2 15  1  0  0  0  0
  3  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  9  1  0  0  0  0
  4  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5  9  1  0  0  0  0
  5 29  1  0  0  0  0
  5 30  1  0  0  0  0
  6 10  1  0  0  0  0
  6 21  1  0  0  0  0
  6 22  1  0  0  0  0
  7  8  1  0  0  0  0
  7 11  2  0  0  0  0
  8 12  2  0  0  0  0
 10 23  1  0  0  0  0
 10 24  1  0  0  0  0
 11 13  1  0  0  0  0
 11 25  1  0  0  0  0
 12 14  1  0  0  0  0
 12 26  1  0  0  0  0
 13 14  2  0  0  0  0
 13 27  1  0  0  0  0
 14 28  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
 16 31  1  0  0  0  0
 17 19  2  0  0  0  0
 17 32  1  0  0  0  0
 18 20  2  0  0  0  0
 18 33  1  0  0  0  0
 19 20  1  0  0  0  0
 19 34  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
761923

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
310

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
3

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
4

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBzIAAEAAAAAAAAAAAAAAAAAWAAAAAwYAAAAAAAAFgB9AAAHgIQAAAACA7hliYx1rdMFACgASRiZACCiC0hN6AJ2CA+fpiObqLFu5uXOCjswBPY6CeQQAAAACAAAAAAACAAQAAAAAAAQAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
1-[2-(4-chlorophenoxy)ethyl]benzimidazol-2-amine

> <PUBCHEM_IUPAC_CAS_NAME>
1-[2-(4-chlorophenoxy)ethyl]-2-benzimidazolamine

> <PUBCHEM_IUPAC_NAME_MARKUP>
1-[2-(4-chlorophenoxy)ethyl]benzimidazol-2-amine

> <PUBCHEM_IUPAC_NAME>
1-[2-(4-chlorophenoxy)ethyl]benzimidazol-2-amine

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
1-[2-(4-chloranylphenoxy)ethyl]benzimidazol-2-amine

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
[1-[2-(4-chlorophenoxy)ethyl]benzimidazol-2-yl]amine

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C15H14ClN3O/c16-11-5-7-12(8-6-11)20-10-9-19-14-4-2-1-3-13(14)18-15(19)17/h1-8H,9-10H2,(H2,17,18)

> <PUBCHEM_IUPAC_INCHIKEY>
RHYRBJPJWNQOPR-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
3.3

> <PUBCHEM_EXACT_MASS>
287.0825398

> <PUBCHEM_MOLECULAR_FORMULA>
C15H14ClN3O

> <PUBCHEM_MOLECULAR_WEIGHT>
287.74

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=CC=C2C(=C1)N=C(N2CCOC3=CC=C(C=C3)Cl)N

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=CC=C2C(=C1)N=C(N2CCOC3=CC=C(C=C3)Cl)N

> <PUBCHEM_CACTVS_TPSA>
53.1

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
287.0825398

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
20

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_UDEF_STEREO_COUNT>
0

> <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

> <PUBCHEM_COMPONENT_COUNT>
1

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
11  13  8
12  14  8
13  14  8
15  16  8
15  17  8
16  18  8
17  19  8
18  20  8
19  20  8
3  7  8
3  9  8
4  8  8
4  9  8
7  11  8
7  8  8
8  12  8

$$$$