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ZINC00646680,AP-906/42697876, 2-methyl-N-[2-[1-[2-(3-methylphenoxy)eth

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摘 要:ZINC00646680,AP-906/42697876, 2-methyl-N-[2-[1-[2-(3-methylphenoxy)ethyl]benzimidazol-2-yl]ethyl],propanamide,Canonical SMILES: CC1=CC(=CC=C1)OCCN2C3=CC=CC=C3N=C2CCNC(=O)C(C)C,InChI: InChI=1/C22H27N3O2/c1-16(2)22(26)23-12-11-21-24-19-9-4-5-10-20(19)2
[Synonyms]
ZINC00646680
AP-906/42697876

[Structure]
ZINC00646680,AP-906/42697876, 2-methyl-N-[2-[1-[2-(3-methylphenoxy)eth

[ Properties Computed from Structure]
Molecular Weight365.46868 [g/mol]
Molecular FormulaC22H27N3O2
XLogP3.9
H-Bond Donor1
H-Bond Acceptor4
Rotatable Bond Count8
Tautomer Count4
Exact Mass365.210327
MonoIsotopic Mass365.210327
Topological Polar Surface Area56.2
Heavy Atom Count27
Formal Charge0
Complexity471
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: 2-methyl-N-[2-[1-[2-(3-methylphenoxy)ethyl]benzimidazol-2-yl]ethyl]
propanamide
Canonical SMILES: CC1=CC(=CC=C1)OCCN2C3=CC=CC=C3N=C2CCNC(=O)C(C)C
InChI: InChI=1/C22H27N3O2/c1-16(2)22(26)23-12-11-21-24-19-9-4-5-10-20(19)25(21)
13-14-27-18-8-6-7-17(3)15-18/h4-10,15-16H,11-14H2,1-3H3,(H,23,26)/f/h23H

 
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