Chem 1 3 Chloropropyl 13 Dihydro 2h Benzimidazol 2 One Ncc

Compound 117
  CheckMol                        TMF02:r0:m0
MF=C10H11ClN2O MW=210.66
 14 15  0  3  0               999 V2000
    0.0000   -0.0000   -0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.3131    0.7621   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6262    0.0234   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9392    0.7855   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2523    0.0469   -0.0000 N   0 00  0  0  0  0  0  0  0  0  0  0
   -6.6357    0.6683   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -5.4165   -1.4303   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -6.9640    2.1455   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6440   -0.4338   -0.0000 N   0 00  0  0  0  0  0  0  0  0  0  0
   -6.8937   -1.7351   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -4.4316   -2.5324   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -7.3626   -3.1420   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -4.9006   -3.9392   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -6.3778   -4.2441   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6 01  0  1  0  0
  5  7 01  0  1  0  0
  6  8  2  0  0  0  0
  6  9 01  0  1  0  0
  7 10 02  0  2  0  0
  7 11 01  0  1  0  0
 10 12 01  0  1  0  0
 11 13 02  0  1  0  0
 12 14 02  0  1  0  0
  9 10 01  0  1  0  0
 13 14 01  0  1  0  0
M  END

1-(3-Chloropropyl)-1,3-dihydro-2H-benzimidazol-2-o

₹ 0.00 0.00

Chemical Name - 1-(3-Chloropropyl)-1,3-dihydro-2H-benzimidazol-2-one
Mol Weight - 210.663
Smiles - O=C1N(CCCCl)c(cccc2)c2N1
InChI - GUMPYDGUYXOYML-UHFFFAOYSA-N
InChIKey - InChI=1S/C10H11ClN2O/c11-6-3-7-13-9-5-2-1-4-8(9)12-10(13)14/h1-2,4-5H,3,6-7H2,(H,12,14)

Property Name	Property Value
Mol Name	1-(3-Chloropropyl)-1,3-dihydro-2H-benzimidazol-2-one
Molweight	210.663
Monoisotopic Mass	210.05599
Clogp	1.9996
Clogs	-3.505
H Acceptors	3
H Donors	1
Total Surface Area	155.97
Relative Psa	0.17984
Polar Surface Area	32.34
Druglikeness	0.92181
Mutagenic	low
Tumorigenic	high
Reproductive Effective	high
Irritant	none
Shape Index	0.64286
Molecular Flexibility	0.39647
Molecular Complexity	0.71292
Fragments	1
Non H Atoms	14
Non Ch Atoms	4
Electronegative Atoms	4
Rotatable Bonds	3
Rings Closures	2
Small Rings	2
Aromatic Rings	1
Aromatic Atoms	6
Sp3 Atoms	3
Amides	2
Smiles	O=C1N(CCCCl)c(cccc2)c2N1
InChIKey	InChI=1S/C10H11ClN2O/c11-6-3-7-13-9-5-2-1-4-8(9)12-10(13)14/h1-2,4-5H,3,6-7H2,(H,12,14)
InChI	GUMPYDGUYXOYML-UHFFFAOYSA-N

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1 - 1-(3-Chloropropyl)-1,3-dihydro-2H-benzimidazol-2-one
2 - 1-(3-Chloropropyl)-1,3-dihydro-2H-benzimidazol-2-one

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1-(3-Chloropropyl)-1,3-dihydro-2H-benzimidazol-2-o