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Home> Hot Product Listed T   > T6466878
1185313-21-6 structure

T6466878

Iupac Name:1-[1-(5-nitropyridin-2-yl)benzimidazol-2-yl]piperidin-4-amine;hydrochloride
CAS No.:1185313-21-6
Molecular Weight:374.829
Molecular Formula:C25H33N3O (isomer)
Names and Identifiers
Synonyms

2-methyl-4-{[5-methyl-2-(thiophen-2-yl)-1,3-oxazol-4-yl]methyl}morpholine MCULE-8952680354 MOLPORT-009-159-241 Z235370590

Inchi
InChI=1S/C17H18N6O2.ClH/c18-12-7-9-21(10-8-12)17-20-14-3-1-2-4-15(14)22(17)16-6-5-13(11-19-16)23(24)25;/h1-6,11-12H,7-10,18H2;1H
InChkey
XMBKEJLZVCVPFZ-UHFFFAOYSA-N
Canonical Smiles
C1CN(CCC1N)C2=NC3=CC=CC=C3N2C4=NC=C(C=C4)[N+](=O)[O-].Cl
Computational chemical data
  • Molecular Weight:374.829g/mol
  • Molecular Formula:C25H33N3O
  • Compound Is Canonicalized:True
  • Exact Mass:374.126
  • Monoisotopic Mass:374.126
  • Complexity:478
  • Rotatable Bond Count:2
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:6
  • Topological Polar Surface Area:106A^2
  • Heavy Atom Count:26
  • 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:2
  • CACTVS Substructure Key Fingerprint: AAADceB7sAAEAAAAAAAAAAAAAAAAAWAAAAA8WIAAAAAAAFgB/AAAHAAUAAAACCjBFgQ98LdcUACh ATZnZwCCgC0xEqAp2KA4dJqIaOLA2ZGUIAhokILIyCcQAAAAAAAAAAAAACAAAAAAAAAAQAAAAAAA AA==
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