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摘 要:Oprea1_449668,MLS001008580,ZINC00192495,SMR000495858,4-fluoro-N-(1-methyl-1H-benzimidazol-2-yl)benzamide, 4-fluoro-N-(1-methylbenzimidazol-2-yl)benzamide,Canonical SMILES: CN1C2=CC=CC=C2N=C1NC(=O)C3=CC=C(C=C3)F,InChI: InChI=1/C15H12FN3O/c1-19-13-5-3-
[Synonyms]
Oprea1_449668
MLS001008580
ZINC00192495
SMR000495858
4-fluoro-N-(1-methyl-1H-benzimidazol-2-yl)benzamide

[Structure]
Oprea1_449668,MLS001008580,ZINC00192495,SMR000495858,4-fluoro-N-(1-met

[ Properties Computed from Structure]
Molecular Weight269.273683 [g/mol]
Molecular FormulaC15H12FN3O
XLogP3.2
H-Bond Donor1
H-Bond Acceptor4
Rotatable Bond Count2
Tautomer Count3
Exact Mass269.09644
MonoIsotopic Mass269.09644
Topological Polar Surface Area46.9
Heavy Atom Count20
Formal Charge0
Complexity357
Isotope Atom Count0
Defined Atom StereoCenter Count0
Undefined Atom StereoCenter Count0
Defined Bond StereoCenter Count0
Undefined Bond StereoCenter Count0
Covalently-Bonded Unit Count1

[ Descriptors Computed from Structure]
IUPAC Name: 4-fluoro-N-(1-methylbenzimidazol-2-yl)benzamide
Canonical SMILES: CN1C2=CC=CC=C2N=C1NC(=O)C3=CC=C(C=C3)F
InChI: InChI=1/C15H12FN3O/c1-19-13-5-3-2-4-12(13)17-15(19)18-14(20)10-6-8-11
(16)9-7-10/h2-9H,1H3,(H,17,18,20)/f/h18H

 
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