
 CHEMBL69475

 41 43  0  0  0  0  0  0  0  0999 V2000
    2.5261    0.7255    2.9939 C   0  0  0  0  0
    2.9267    1.4822    1.7371 C   0  0  0  0  0
    4.1989    0.8987    1.1153 C   0  0  0  0  0
    4.5797    1.5640   -0.2080 C   0  0  0  0  0
    4.9847    2.9958   -0.0532 C   0  0  0  0  0
    4.1488    4.0118   -0.1525 N   0  0  0  0  0
    4.9009    5.1433    0.0111 C   0  0  0  0  0
    4.5017    6.4876    0.0009 C   0  0  0  0  0
    5.4702    7.4810    0.1878 C   0  0  0  0  0
    6.8109    7.1421    0.3745 C   0  0  0  0  0
    7.2268    5.8060    0.3839 C   0  0  0  0  0
    6.2401    4.8262    0.2053 C   0  0  0  0  0
    6.2674    3.4452    0.1910 N   0  0  0  0  0
    7.4711    2.6374    0.3320 C   0  0  0  0  0
    7.7815    2.2222    1.7554 C   0  0  0  0  0
    8.3960    0.9775    1.9805 C   0  0  0  0  0
    8.7835    0.5866    3.2683 C   0  0  0  0  0
    8.5741    1.4371    4.3536 C   0  0  0  0  0
    7.9687    2.6768    4.1431 C   0  0  0  0  0
    7.5788    3.0687    2.8582 C   0  0  0  0  0
    7.6795    3.8721    5.5869 Br  0  0  0  0  0
    8.9744    1.0513    5.6054 O   0  0  0  0  0
    9.6106   -1.1074    3.4814 Br  0  0  0  0  0
    1.6243    1.1668    3.4299 H   0  0  0  0  0
    3.3214    0.7644    3.7448 H   0  0  0  0  0
    2.3152   -0.3246    2.7688 H   0  0  0  0  0
    3.0784    2.5359    1.9958 H   0  0  0  0  0
    2.1034    1.4388    1.0143 H   0  0  0  0  0
    4.0400   -0.1702    0.9254 H   0  0  0  0  0
    5.0247    0.9733    1.8316 H   0  0  0  0  0
    3.7273    1.5143   -0.8977 H   0  0  0  0  0
    5.3785    0.9882   -0.6862 H   0  0  0  0  0
    3.4581    6.7415   -0.1482 H   0  0  0  0  0
    5.1710    8.5268    0.1859 H   0  0  0  0  0
    7.5460    7.9316    0.5184 H   0  0  0  0  0
    8.2702    5.5539    0.5382 H   0  0  0  0  0
    8.3149    3.2103   -0.0686 H   0  0  0  0  0
    7.3558    1.7606   -0.3128 H   0  0  0  0  0
    8.5864    0.3072    1.1436 H   0  0  0  0  0
    7.1203    4.0469    2.7296 H   0  0  0  0  0
    8.7551    1.7705    6.2253 H   0  0  0  0  0
  1  2  1  0  0  0
  1 24  1  0  0  0
  1 25  1  0  0  0
  1 26  1  0  0  0
  2  3  1  0  0  0
  2 27  1  0  0  0
  2 28  1  0  0  0
  3  4  1  0  0  0
  3 29  1  0  0  0
  3 30  1  0  0  0
  4  5  1  0  0  0
  4 31  1  0  0  0
  4 32  1  0  0  0
  5 13  1  0  0  0
  5  6  2  0  0  0
  6  7  1  0  0  0
  7 12  1  0  0  0
  7  8  2  0  0  0
  8  9  1  0  0  0
  8 33  1  0  0  0
  9 10  2  0  0  0
  9 34  1  0  0  0
 10 11  1  0  0  0
 10 35  1  0  0  0
 11 12  2  0  0  0
 11 36  1  0  0  0
 12 13  1  0  0  0
 13 14  1  0  0  0
 14 15  1  0  0  0
 14 37  1  0  0  0
 14 38  1  0  0  0
 15 20  1  0  0  0
 15 16  2  0  0  0
 16 17  1  0  0  0
 16 39  1  0  0  0
 17 18  2  0  0  0
 17 23  1  0  0  0
 18 19  1  0  0  0
 18 22  1  0  0  0
 19 20  2  0  0  0
 19 21  1  0  0  0
 20 40  1  0  0  0
 22 41  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL69475

>  <PubChem CID>
44309021

>  <Formula>
C18H18Br2N2O

>  <Molecular Weight>
438.163000

>  <IUPAC Name>
2,6-dibromo-4-[(2-butylbenzimidazol-1-yl)methyl]phenol

>  <XlogP>
5.8

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
CCCCC1=NC2=CC=CC=C2N1CC3=CC(=C(C(=C3)Br)O)Br

>  <Isomeric SMILES>
CCCCC1=NC2=CC=CC=C2N1CC3=CC(=C(C(=C3)Br)O)Br

>  <InChI Std. ID>
InChI=1S/C18H18Br2N2O/c1-2-3-8-17-21-15-6-4-5-7-16(15)22(17)11-12-9-13(19)18(23)14(20)10-12/h4-7,9-10,23H,2-3,8,11H2,1H3

>  <InChI Key>
DWLRJPFONCNEGY-UHFFFAOYSA-N

