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ZINC00550938 6-(trifluoromethyl)-2-[[4-(trifluoromethyl)phenyl]methyl]

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摘 要:ZINC00550938 6-(trifluoromethyl)-2-[[4-(trifluoromethyl)phenyl]methyl]-1H-,benzimidazole,Canonical SMILES: C1=CC(=CC=C1CC2=NC3=C(N2)C=C(C=C3)C(F)(F)F)C(F)(F)F,InChI: InChI=1/C16H10F6N2/c17-15(18,19)10-3-1-9(2-4-10)7-14-23-12-6-5-11(16(20,,21)22)8-13(
[Synonyms]
ZINC00550938
[Structure]
ZINC00550938 6-(trifluoromethyl)-2-[[4-(trifluoromethyl)phenyl]methyl]

[ Properties Computed from Structure]
Molecular Weight344.254419 [g/mol]
Molecular FormulaC16H10F6N2
XLogP4.9
H-Bond Donor1
H-Bond Acceptor8
Rotatable Bond Count2
Tautomer Count2
Exact Mass344.074818
MonoIsotopic Mass344.074818
Topological Polar Surface Area28.7
Heavy Atom Count24
Formal Charge0
Complexity427
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: 6-(trifluoromethyl)-2-[[4-(trifluoromethyl)phenyl]methyl]-1H-
benzimidazole
Canonical SMILES: C1=CC(=CC=C1CC2=NC3=C(N2)C=C(C=C3)C(F)(F)F)C(F)(F)F
InChI: InChI=1/C16H10F6N2/c17-15(18,19)10-3-1-9(2-4-10)7-14-23-12-6-5-11(16(20,
21)22)8-13(12)24-14/h1-6,8H,7H2,(H,23,24)/f/h24H

 
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