
 4-Chloro-2-(2-imidazolin-2-ylamino)isoindoline

 29 31  0  0  0  0  0  0  0  0999 V2000
    3.1018   -0.4913   -0.8761 C   0  0  0  0  0
    4.3037    0.0803   -1.6371 C   0  0  0  0  0
    4.4727    1.4823   -1.1542 N   0  0  0  0  0
    3.3413    1.7274   -0.5477 C   0  0  0  0  0
    2.4225    0.7246   -0.5045 N   0  0  0  0  0
    3.0299    2.9193    0.0436 N   0  0  0  0  0
    1.6463    3.3250    0.0303 N   0  0  0  0  0
    1.3034    3.7841   -1.3563 C   0  0  0  0  0
    1.5253    5.2635   -1.3584 C   0  0  0  0  0
    1.6353    5.7157   -0.0431 C   0  0  0  0  0
    1.5149    4.5489    0.8860 C   0  0  0  0  0
    1.7958    7.0615    0.2276 C   0  0  0  0  0
    1.8728    7.9557   -0.8434 C   0  0  0  0  0
    1.7766    7.4928   -2.1672 C   0  0  0  0  0
    1.5933    6.1352   -2.4327 C   0  0  0  0  0
    1.8977    7.6451    1.8395 Cl  0  0  0  0  0
    2.4846   -1.1444   -1.4978 H   0  0  0  0  0
    3.4295   -1.0344    0.0160 H   0  0  0  0  0
    4.1125    0.1026   -2.7170 H   0  0  0  0  0
    5.2101   -0.5038   -1.4539 H   0  0  0  0  0
    1.8578    0.7312    0.3361 H   0  0  0  0  0
    3.7177    3.6347   -0.1943 H   0  0  0  0  0
    1.8894    3.2862   -2.1365 H   0  0  0  0  0
    0.2424    3.5782   -1.5382 H   0  0  0  0  0
    2.2640    4.5723    1.6856 H   0  0  0  0  0
    0.5178    4.5502    1.3414 H   0  0  0  0  0
    2.0057    9.0190   -0.6602 H   0  0  0  0  0
    1.8403    8.2008   -2.9910 H   0  0  0  0  0
    1.5107    5.7751   -3.4536 H   0  0  0  0  0
  1  5  1  0  0  0
  1  2  1  0  0  0
  1 17  1  0  0  0
  1 18  1  0  0  0
  2  3  1  0  0  0
  2 19  1  0  0  0
  2 20  1  0  0  0
  3  4  2  0  0  0
  4  5  1  0  0  0
  4  6  1  0  0  0
  5 21  1  0  0  0
  6  7  1  0  0  0
  6 22  1  0  0  0
  7  8  1  0  0  0
  7 11  1  0  0  0
  8  9  1  0  0  0
  8 23  1  0  0  0
  8 24  1  0  0  0
  9 15  1  0  0  0
  9 10  2  0  0  0
 10 11  1  0  0  0
 10 12  1  0  0  0
 11 25  1  0  0  0
 11 26  1  0  0  0
 12 13  2  0  0  0
 12 16  1  0  0  0
 13 14  1  0  0  0
 13 27  1  0  0  0
 14 15  2  0  0  0
 14 28  1  0  0  0
 15 29  1  0  0  0
M  END

>  <Chemical Name>
4-Chloro-2-(2-imidazolin-2-ylamino)isoindoline

>  <PubChem CID>
131284

>  <Formula>
C11H13ClN4

>  <Molecular Weight>
236.703000

>  <IUPAC Name>
4-chloro-N-(4,5-dihydro-1H-imidazol-2-yl)-1,3-dihydroisoindol-2-amine

>  <XlogP>
1.0

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
C1CN=C(N1)NN2CC3=C(C2)C(=CC=C3)Cl

>  <Isomeric SMILES>
C1CN=C(N1)NN2CC3=C(C2)C(=CC=C3)Cl

>  <InChI Std. ID>
InChI=1S/C11H13ClN4/c12-10-3-1-2-8-6-16(7-9(8)10)15-11-13-4-5-14-11/h1-3H,4-7H2,(H2,13,14,15)

>  <InChI Key>
OYLPBTPLAUXYTB-UHFFFAOYSA-N

