1-(2-bromoethyl)-3-(prop-1-en-2-yl)-1H-benzo[d]imidazol-2(3H)-one

1. Names and Identifiers

1.2 Synonyms: 1-(2-Bromoethyl)-3-(prop-1-en-2-yl)-1H-benzo[d]-imidazol-2(3H)-one; 1-(2-bromoethyl)-3-(prop-1-en-2-yl)-1H-benzo[d]imidazol-2(3H)-one; 1,3-dihydro-1-(2-bromoethyl)-3-isopropenyl-2h-benzimidazol-2-one; 1-isopropenyl-3-(2-bromoethyl)benzimidazolone; 2H-Benzimidazol-2-one, 1-(2-bromoethyl)-1,3-dihydro-3-(1-methylethenyl)-;

1.6 Inchi: InChI=1S/C12H13BrN2O/c1-9(2)15-11-6-4-3-5-10(11)14(8-7-13)12(15)16/h3-6H,1,7-8H2,2H3

2. Properties

3. Computed Properties

Molecular Weight：281.153g/mol
Molecular Formula：C₁₂H₁₃BrN₂O
Compound Is Canonicalized：True
Exact Mass：2.6
XLogP3-AA：280.02113
Monoisotopic Mass：280.02113
Complexity：305
Rotatable Bond Count：3
Hydrogen Bond Donor Count：0
Hydrogen Bond Acceptor Count：1
Topological Polar Surface Area：23.6
Heavy Atom Count：：16
Defined Atom Stereocenter Count：0
Undefined Atom Stereocenter Count：0
Defined Bond Stereocenter Count：0
Undefined Bond Stereocenter Count：0
Isotope Atom Count：0
Covalently-Bonded Unit Count：1
CACTVS Substructure Key Fingerprint：AAADccBzIAAAEAAAAAAAAAAAAAAAAWAAAAAwAAAAAAAAAFgBAAAAHgBAAAABSAjBEAQzwIMAAACIACRCUACCAAAhAgAIiAAIdIiIYCLAkZGUIAhohgLIyCcQAAAAAAAAAAAAACAAAAAAAAAAQAAAAAAAAA==