
 CHEMBL3423100

 36 39  0  0  0  0  0  0  0  0999 V2000
   -0.2277   -0.4924    2.1323 C   0  0  0  0  0
   -0.8890   -1.6401    1.4171 C   0  0  0  0  0
   -0.1221   -0.5832    0.6331 C   0  0  0  0  0
    1.1382   -0.9630   -0.0475 C   0  0  0  0  0
    1.2910   -2.0970   -0.4888 O   0  0  0  0  0
    2.0350    0.0691   -0.1472 N   0  0  0  0  0
    3.2202   -0.0548   -0.8217 C   0  0  0  0  0
    4.1292    0.8876   -0.9083 N   0  0  0  0  0
    5.1498    0.3362   -1.6487 C   0  0  0  0  0
    6.3861    0.8834   -2.0210 C   0  0  0  0  0
    7.2648    0.1018   -2.7829 C   0  0  0  0  0
    6.9154   -1.1931   -3.1760 C   0  0  0  0  0
    5.6857   -1.7559   -2.8169 C   0  0  0  0  0
    4.8371   -0.9600   -2.0458 C   0  0  0  0  0
    3.6008   -1.1833   -1.5017 N   0  0  0  0  0
   -2.3689   -1.7537    1.1180 C   0  0  0  0  0
   -2.8230   -2.8142    0.3108 C   0  0  0  0  0
   -4.1701   -2.9475   -0.0284 C   0  0  0  0  0
   -5.1034   -2.0218    0.4227 C   0  0  0  0  0
   -4.6839   -0.9649    1.2258 C   0  0  0  0  0
   -3.3341   -0.8392    1.5729 C   0  0  0  0  0
   -4.6769   -4.2614   -1.0174 Cl  0  0  0  0  0
   -0.8302    0.3003    2.5557 H   0  0  0  0  0
    0.6507   -0.7222    2.7283 H   0  0  0  0  0
   -0.3882   -2.5980    1.5696 H   0  0  0  0  0
   -0.7158    0.1265    0.0629 H   0  0  0  0  0
    1.8559    0.9709    0.2724 H   0  0  0  0  0
    6.6516    1.8885   -1.7139 H   0  0  0  0  0
    8.2312    0.5099   -3.0698 H   0  0  0  0  0
    7.6149   -1.7781   -3.7700 H   0  0  0  0  0
    5.4141   -2.7617   -3.1186 H   0  0  0  0  0
    3.0446   -2.0264   -1.5599 H   0  0  0  0  0
   -2.1041   -3.5420   -0.0628 H   0  0  0  0  0
   -6.1512   -2.1169    0.1527 H   0  0  0  0  0
   -5.4059   -0.2335    1.5810 H   0  0  0  0  0
   -3.0413   -0.0007    2.1995 H   0  0  0  0  0
  1  3  1  0  0  0
  1  2  1  0  0  0
  1 23  1  0  0  0
  1 24  1  0  0  0
  2  3  1  0  0  0
  2 16  1  0  0  0
  2 25  1  0  0  0
  3  4  1  0  0  0
  3 26  1  0  0  0
  4  6  1  0  0  0
  4  5  2  0  0  0
  6  7  1  0  0  0
  6 27  1  0  0  0
  7  8  2  0  0  0
  7 15  1  0  0  0
  8  9  1  0  0  0
  9 10  2  0  0  0
  9 14  1  0  0  0
 10 11  1  0  0  0
 10 28  1  0  0  0
 11 12  2  0  0  0
 11 29  1  0  0  0
 12 13  1  0  0  0
 12 30  1  0  0  0
 13 14  2  0  0  0
 13 31  1  0  0  0
 14 15  1  0  0  0
 15 32  1  0  0  0
 16 17  2  0  0  0
 16 21  1  0  0  0
 17 18  1  0  0  0
 17 33  1  0  0  0
 18 19  2  0  0  0
 18 22  1  0  0  0
 19 20  1  0  0  0
 19 34  1  0  0  0
 20 21  2  0  0  0
 20 35  1  0  0  0
 21 36  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL3423100

>  <PubChem CID>
118736171

>  <Formula>
C17H14ClN3O

>  <Molecular Weight>
311.769000

>  <IUPAC Name>
(1S,2S)-N-(1H-benzimidazol-2-yl)-2-(3-chlorophenyl)cyclopropane-1-carboxamide

>  <XlogP>
3.5

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
C1C(C1C(=O)NC2=NC3=CC=CC=C3N2)C4=CC(=CC=C4)Cl

>  <Isomeric SMILES>
C1[C@@H]([C@H]1C(=O)NC2=NC3=CC=CC=C3N2)C4=CC(=CC=C4)Cl

>  <InChI Std. ID>
InChI=1S/C17H14ClN3O/c18-11-5-3-4-10(8-11)12-9-13(12)16(22)21-17-19-14-6-1-2-7-15(14)20-17/h1-8,12-13H,9H2,(H2,19,20,21,22)/t12-,13+/m1/s1

>  <InChI Key>
VAUJRAUBUNXESP-OLZOCXBDSA-N

