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Home> Hot Product Listed C   > CHEMBL119430
851870-24-1 structure

CHEMBL119430

Iupac Name:4-iodo-1-methyl-2-propan-2-ylimidazole
CAS No.:851870-24-1
Molecular Weight:250.083g/mol
Molecular Formula:C17H15N3O5 (isomer)
Names and Identifiers
Synonyms

1-(2-ethyl-thiazol-4-yl)-3-morpholin-4-yl-urea 1-(2-ethylthiazol-4-yl)-3-morpholinourea bdbm50133563

Inchi
InChI=1S/C7H11IN2/c1-5(2)7-9-6(8)4-10(7)3/h4-5H,1-3H3
InChkey
DAGVILBUVLFITM-UHFFFAOYSA-N
Canonical Smiles
CC(C)C1=NC(=CN1C)I
Computational chemical data
  • Molecular Weight:250.083g/molg/mol
  • Molecular Formula:C17H15N3O5
  • Compound Is Canonicalized:True
  • Exact Mass:249.997
  • Monoisotopic Mass:249.997
  • Complexity:116
  • Rotatable Bond Count:1
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:1
  • Topological Polar Surface Area:17.8A^2
  • Heavy Atom Count:10
  • 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: AAADccBjAAAAAgAAAAAAAAAAAAAAAWAAAAAAAAAAAAAAAAABgAAAHAAgAAAADQDDAwQvkBcMEACg ABInZAAAgC0REqABQAA4MACASAAACAAUAAAIAAKAACAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
 
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