Chem 1 Benzyl 2 Formylimidazole Dsrpl

Compound 272
  CheckMol                        TMF02:r0:m0
MF=C11H10N2O MW=186.21
 14 15  0  2  0               999 V2000
    0.0000   -0.0000   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4274   -0.4520   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7247   -1.9150   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    0.7018   -3.0212   -0.0000 N   0 00  0  0  0  0  0  0  0  0  0  0
    3.0926   -2.5217   -0.0000 N   0 00  0  0  0  0  0  0  0  0  0  0
    1.4392   -4.3177   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    2.9261   -4.0085   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    4.3891   -1.7604   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6856   -2.5098   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    5.6737   -4.0085   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    6.9821   -1.7485   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    6.9702   -4.7578   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    8.2786   -2.4979   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    8.2668   -3.9966   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4 02  0  1  0  0
  3  5 01  0  1  0  0
  4  6 01  0  1  0  0
  5  7 01  0  1  0  0
  5  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10 02  0  1  0  0
  9 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
  6  7 02  0  1  0  0
 13 14 01  0  1  0  0
M  END

1-Benzyl-2-formylimidazole

₹ 0.00 0.00

Chemical Name - 1-Benzyl-2-formylimidazole
Mol Weight - 186.213
Smiles - O=Cc1nccn1Cc1ccccc1

Property Name	Property Value
Mol Name	1-Benzyl-2-formylimidazole
Molweight	186.213
Monoisotopic Mass	186.079313
Clogp	1.1329
Clogs	-0.492
H Acceptors	3
Total Surface Area	154.28
Relative Psa	0.20016
Polar Surface Area	34.89
Druglikeness	-0.19
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Shape Index	0.64286
Molecular Flexibility	0.51181
Molecular Complexity	0.58006
Fragments	1
Non H Atoms	14
Non Ch Atoms	3
Electronegative Atoms	3
Rotatable Bonds	3
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	11
Sp3 Atoms	1
Symmetric Atoms	2
Aromatic Nitrogens	2
Basic Nitrogens	1
Smiles	O=Cc1nccn1Cc1ccccc1
InChIKey	InChI=1S/C11H10N2O/c14-9-11-12-6-7-13(11)8-10-4-2-1-3-5-10/h1-7,9H,8H2
InChI	AKFHFMMKMUJLBU-UHFFFAOYSA-N

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1 - 1-Benzyl-2-formylimidazole
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1-Benzyl-2-formylimidazole