
 4-[(2-Butyl-1H-benzimidazol-1-yl)methyl]benzoic acid

 43 45  0  0  0  0  0  0  0  0999 V2000
    3.3353   -0.9011    2.7777 C   0  0  0  0  0
    3.7562   -0.4085    1.4030 C   0  0  0  0  0
    4.1588    1.0677    1.4278 C   0  0  0  0  0
    4.6213    1.5272    0.0458 C   0  0  0  0  0
    5.0139    2.9701    0.0342 C   0  0  0  0  0
    4.1490    3.9646    0.0916 N   0  0  0  0  0
    4.8815    5.1136   -0.0402 C   0  0  0  0  0
    4.4485    6.4478   -0.0569 C   0  0  0  0  0
    5.3929    7.4634   -0.2417 C   0  0  0  0  0
    6.7424    7.1554   -0.4165 C   0  0  0  0  0
    7.1920    5.8295   -0.3970 C   0  0  0  0  0
    6.2336    4.8284   -0.1912 C   0  0  0  0  0
    6.3046    3.4536   -0.0713 N   0  0  0  0  0
    7.5371    2.6786   -0.0841 C   0  0  0  0  0
    8.0745    2.4562    1.3107 C   0  0  0  0  0
    7.9046    1.2251    1.9607 C   0  0  0  0  0
    8.3760    1.0342    3.2643 C   0  0  0  0  0
    9.0300    2.0735    3.9357 C   0  0  0  0  0
    9.2100    3.3011    3.2932 C   0  0  0  0  0
    8.7400    3.4885    1.9922 C   0  0  0  0  0
    9.5427    1.9250    5.3188 C   0  0  0  0  0
    9.9997    2.8164    6.0084 O   0  0  0  0  0
    9.4868    0.6572    5.7612 O   0  0  0  0  0
    3.0408   -1.9535    2.7272 H   0  0  0  0  0
    2.4835   -0.3277    3.1570 H   0  0  0  0  0
    4.1576   -0.8126    3.4935 H   0  0  0  0  0
    2.9279   -0.5533    0.6995 H   0  0  0  0  0
    4.5941   -1.0176    1.0460 H   0  0  0  0  0
    4.9569    1.2219    2.1635 H   0  0  0  0  0
    3.3070    1.6749    1.7590 H   0  0  0  0  0
    3.7988    1.3975   -0.6705 H   0  0  0  0  0
    5.4317    0.8846   -0.3106 H   0  0  0  0  0
    3.3959    6.6761    0.0688 H   0  0  0  0  0
    5.0678    8.5014   -0.2555 H   0  0  0  0  0
    7.4591    7.9614   -0.5681 H   0  0  0  0  0
    8.2429    5.6064   -0.5360 H   0  0  0  0  0
    8.2765    3.2112   -0.6940 H   0  0  0  0  0
    7.3543    1.7315   -0.6008 H   0  0  0  0  0
    7.3929    0.4027    1.4648 H   0  0  0  0  0
    8.2206    0.0741    3.7515 H   0  0  0  0  0
    9.7135    4.1202    3.8050 H   0  0  0  0  0
    8.8916    4.4577    1.5236 H   0  0  0  0  0
    9.8722    0.7102    6.6606 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 16  2  0  0  0
 15 20  1  0  0  0
 16 17  1  0  0  0
 16 39  1  0  0  0
 17 18  2  0  0  0
 17 40  1  0  0  0
 18 19  1  0  0  0
 18 21  1  0  0  0
 19 20  2  0  0  0
 19 41  1  0  0  0
 20 42  1  0  0  0
 21 23  1  0  0  0
 21 22  2  0  0  0
 23 43  1  0  0  0
M  END

>  <Chemical Name>
4-[(2-Butyl-1H-benzimidazol-1-yl)methyl]benzoic acid

>  <PubChem CID>
14987298

>  <Formula>
C19H20N2O2

>  <Molecular Weight>
308.381000

>  <IUPAC Name>
4-[(2-butylbenzimidazol-1-yl)methyl]benzoic acid

>  <XlogP>
4.3

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
3

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

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

>  <InChI Std. ID>
InChI=1S/C19H20N2O2/c1-2-3-8-18-20-16-6-4-5-7-17(16)21(18)13-14-9-11-15(12-10-14)19(22)23/h4-7,9-12H,2-3,8,13H2,1H3,(H,22,23)

>  <InChI Key>
AYUAYHAZNQPDLH-UHFFFAOYSA-N

