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ZINC01384046,2R-1545, 1-[(3-chlorophenyl)methyl]-2-(trifluoromethyl)be

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摘 要:ZINC01384046,2R-1545, 1-[(3-chlorophenyl)methyl]-2-(trifluoromethyl)benzimidazole,Canonical SMILES: C1=CC=C2C(=C1)N=C(N2CC3=CC(=CC=C3)Cl)C(F)(F)F,InChI: InChI=1/C15H10ClF3N2/c16-11-5-3-4-10(8-11)9-21-13-7-2-1-6-12(13)20-14,(21)15(17,18)19/h1-8H,9H2,M
[Synonyms]
ZINC01384046
2R-1545

[Structure]
ZINC01384046,2R-1545, 1-[(3-chlorophenyl)methyl]-2-(trifluoromethyl)be

[ Properties Computed from Structure]
Molecular Weight310.70151 [g/mol]
Molecular FormulaC15H10ClF3N2
XLogP4.9
H-Bond Donor0
H-Bond Acceptor5
Rotatable Bond Count2
Exact Mass310.048461
MonoIsotopic Mass310.048461
Topological Polar Surface Area17.8
Heavy Atom Count21
Formal Charge0
Complexity363
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: 1-[(3-chlorophenyl)methyl]-2-(trifluoromethyl)benzimidazole
Canonical SMILES: C1=CC=C2C(=C1)N=C(N2CC3=CC(=CC=C3)Cl)C(F)(F)F
InChI: InChI=1/C15H10ClF3N2/c16-11-5-3-4-10(8-11)9-21-13-7-2-1-6-12(13)20-14
(21)15(17,18)19/h1-8H,9H2

 
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