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ChemDiv3_011606,STOCK3S-50883,ZINC00317691,IDI1_029164, 1-[(2-chloroph

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摘 要:ChemDiv3_011606,STOCK3S-50883,ZINC00317691,IDI1_029164, 1-[(2-chlorophenyl)methyl]-2-propan-2-ylbenzimidazole,Canonical SMILES: CC(C)C1=NC2=CC=CC=C2N1CC3=CC=CC=C3Cl,InChI: InChI=1/C17H17ClN2/c1-12(2)17-19-15-9-5-6-10-16(15)20(17)11-13-7-3-4-8-,14(13)
[Synonyms]
ChemDiv3_011606
STOCK3S-50883
ZINC00317691
IDI1_029164

[Structure]
ChemDiv3_011606,STOCK3S-50883,ZINC00317691,IDI1_029164, 1-[(2-chloroph

[ Properties Computed from Structure]
Molecular Weight284.78328 [g/mol]
Molecular FormulaC17H17ClN2
XLogP4.7
H-Bond Donor0
H-Bond Acceptor2
Rotatable Bond Count3
Tautomer Count2
Exact Mass284.108026
MonoIsotopic Mass284.108026
Topological Polar Surface Area17.8
Heavy Atom Count20
Formal Charge0
Complexity320
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-[(2-chlorophenyl)methyl]-2-propan-2-ylbenzimidazole
Canonical SMILES: CC(C)C1=NC2=CC=CC=C2N1CC3=CC=CC=C3Cl
InChI: InChI=1/C17H17ClN2/c1-12(2)17-19-15-9-5-6-10-16(15)20(17)11-13-7-3-4-8-
14(13)18/h3-10,12H,11H2,1-2H3

 
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