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Oprea1_359722 N-[2-(2-phenylimidazo[3,2-a]benzimidazol-3-yl)ethyl]prop

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摘 要:Oprea1_359722 N-[2-(2-phenylimidazo[3,2-a]benzimidazol-3-yl)ethyl]propan-2-amine,Canonical SMILES: CC(C)NCCN1C(=CN2C1=NC3=CC=CC=C32)C4=CC=CC=C4,InChI: InChI=1/C20H22N4/c1-15(2)21-12-13-23-19(16-8-4-3-5-9-16)14-24-18-11-7-6-,10-17(18)22-20(23)24/h3-11
[Synonyms]
Oprea1_359722
[Structure]
Oprea1_359722 N-[2-(2-phenylimidazo[3,2-a]benzimidazol-3-yl)ethyl]prop

[ Properties Computed from Structure]
Molecular Weight318.41548 [g/mol]
Molecular FormulaC20H22N4
XLogP5
H-Bond Donor1
H-Bond Acceptor4
Rotatable Bond Count5
Exact Mass318.184447
MonoIsotopic Mass318.184447
Topological Polar Surface Area34.3
Heavy Atom Count24
Formal Charge0
Complexity406
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: N-[2-(2-phenylimidazo[3,2-a]benzimidazol-3-yl)ethyl]propan-2-amine
Canonical SMILES: CC(C)NCCN1C(=CN2C1=NC3=CC=CC=C32)C4=CC=CC=C4
InChI: InChI=1/C20H22N4/c1-15(2)21-12-13-23-19(16-8-4-3-5-9-16)14-24-18-11-7-6-
10-17(18)22-20(23)24/h3-11,14-15,21H,12-13H2,1-2H3

 
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