743900
  -OEChem-05012417342D

 30 32  0     0  0  0  0  0  0999 V2000
    8.9030    1.5210    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.6783   -0.2544    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783   -1.8638    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2619   -1.0591    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9889    0.6961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.5591    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.5591    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2619   -1.0591    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9674    0.9024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.0591    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.0591    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2781    1.8529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6353    0.1581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.5591    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.5591    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2566    2.0591    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6138    0.3643    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9244    1.3148    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9684    1.3158    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3751    0.7835    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.5609    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.6791    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8640    2.3144    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4427   -0.4313    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -0.2491    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -1.8691    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5719   -1.5960    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5719   -0.5222    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4492    2.6484    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0279   -0.0972    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 18  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  2  8  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  8  1  0  0  0  0
  4 27  1  0  0  0  0
  4 28  1  0  0  0  0
  5  9  1  0  0  0  0
  5 19  1  0  0  0  0
  5 20  1  0  0  0  0
  6  7  1  0  0  0  0
  6 10  2  0  0  0  0
  7 11  2  0  0  0  0
  9 12  2  0  0  0  0
  9 13  1  0  0  0  0
 10 14  1  0  0  0  0
 10 21  1  0  0  0  0
 11 15  1  0  0  0  0
 11 22  1  0  0  0  0
 12 16  1  0  0  0  0
 12 23  1  0  0  0  0
 13 17  2  0  0  0  0
 13 24  1  0  0  0  0
 14 15  2  0  0  0  0
 14 25  1  0  0  0  0
 15 26  1  0  0  0  0
 16 18  2  0  0  0  0
 16 29  1  0  0  0  0
 17 18  1  0  0  0  0
 17 30  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
743900

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
278

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
2

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
2

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBzAAAEAAAAAAAAAAAAAAAAAWAAAAAwYAAAAAAAAFgB9AAAHAIQAAAADArBHiQx0LdMEACgAyRiZACCgC0hF6AJ2CA4dpiIaKLBm5GUIAhogALIyCcQgAAOBAAAAAAAACAIAAAAAAAAQAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
1-[(4-chlorophenyl)methyl]benzimidazol-2-amine

> <PUBCHEM_IUPAC_CAS_NAME>
1-[(4-chlorophenyl)methyl]-2-benzimidazolamine

> <PUBCHEM_IUPAC_NAME_MARKUP>
1-[(4-chlorophenyl)methyl]benzimidazol-2-amine

> <PUBCHEM_IUPAC_NAME>
1-[(4-chlorophenyl)methyl]benzimidazol-2-amine

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
1-[(4-chlorophenyl)methyl]benzimidazol-2-amine

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

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C14H12ClN3/c15-11-7-5-10(6-8-11)9-18-13-4-2-1-3-12(13)17-14(18)16/h1-8H,9H2,(H2,16,17)

> <PUBCHEM_IUPAC_INCHIKEY>
HKBJSDNECZUKSR-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3>
3.2

> <PUBCHEM_EXACT_MASS>
257.0719751

> <PUBCHEM_MOLECULAR_FORMULA>
C14H12ClN3

> <PUBCHEM_MOLECULAR_WEIGHT>
257.72

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=CC=C2C(=C1)N=C(N2CC3=CC=C(C=C3)Cl)N

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=CC=C2C(=C1)N=C(N2CC3=CC=C(C=C3)Cl)N

> <PUBCHEM_CACTVS_TPSA>
43.8

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
257.0719751

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
18

> <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>
10  14  8
11  15  8
12  16  8
13  17  8
14  15  8
16  18  8
17  18  8
2  6  8
2  8  8
3  7  8
3  8  8
6  10  8
6  7  8
7  11  8
9  12  8
9  13  8

$$$$