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ChemDiv3_011522,ZINC00646673,IDI1_029080,AP-906/42697418,T5442365, 2-(

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摘 要:ChemDiv3_011522,ZINC00646673,IDI1_029080,AP-906/42697418,T5442365, 2-(phenoxy)-N-[2-[1-(phenylmethyl)benzimidazol-2-yl]ethyl]acetamide,Canonical SMILES: C1=CC=C(C=C1)CN2C3=CC=CC=C3N=C2CCNC(=O)COC4=CC=CC=C4,InChI: InChI=1/C24H23N3O2/c28-24(18-29-20-11
[Synonyms]
ChemDiv3_011522
ZINC00646673
IDI1_029080
AP-906/42697418
T5442365

[Structure]
ChemDiv3_011522,ZINC00646673,IDI1_029080,AP-906/42697418,T5442365, 2-(

[ Properties Computed from Structure]
Molecular Weight385.45832 [g/mol]
Molecular FormulaC24H23N3O2
XLogP4.3
H-Bond Donor1
H-Bond Acceptor4
Rotatable Bond Count8
Tautomer Count4
Exact Mass385.179027
MonoIsotopic Mass385.179027
Topological Polar Surface Area56.2
Heavy Atom Count29
Formal Charge0
Complexity502
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-(phenoxy)-N-[2-[1-(phenylmethyl)benzimidazol-2-yl]ethyl]acetamide
Canonical SMILES: C1=CC=C(C=C1)CN2C3=CC=CC=C3N=C2CCNC(=O)COC4=CC=CC=C4
InChI: InChI=1/C24H23N3O2/c28-24(18-29-20-11-5-2-6-12-20)25-16-15-23-26-21-13-
7-8-14-22(21)27(23)17-19-9-3-1-4-10-19/h1-14H,15-18H2,(H,25,28)/f/h25H

 
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