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NSC166106,71323-25-6, 1-(2-phenylethenyl)benzimidazole,Canonical SMILE

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摘 要:NSC166106,71323-25-6, 1-(2-phenylethenyl)benzimidazole,Canonical SMILES: C1=CC=C(C=C1)C=CN2C=NC3=CC=CC=C32,InChI: InChI=1/C15H12N2/c1-2-6-13(7-3-1)10-11-17-12-16-14-8-4-5-9-15(14)17/h1-,12H,Molecular Weight220.26918 [g/mol]Molecular FormulaC15H12N2XL
[Synonyms]
NSC166106
71323-25-6

[Structure]
NSC166106,71323-25-6, 1-(2-phenylethenyl)benzimidazole,Canonical SMILE

[ Properties Computed from Structure]
Molecular Weight220.26918 [g/mol]
Molecular FormulaC15H12N2
XLogP3.8
H-Bond Donor0
H-Bond Acceptor2
Rotatable Bond Count2
Exact Mass220.100048
MonoIsotopic Mass220.100048
Topological Polar Surface Area17.8
Heavy Atom Count17
Formal Charge0
Complexity268
Isotope Atom Count0
Defined Atom StereoCenter Count0
Undefined Atom StereoCenter Count0
Defined Bond StereoCenter Count0
Undefined Bond StereoCenter Count1
Covalently-Bonded Unit Count1

[ Descriptors Computed from Structure]
IUPAC Name: 1-(2-phenylethenyl)benzimidazole
Canonical SMILES: C1=CC=C(C=C1)C=CN2C=NC3=CC=CC=C32
InChI: InChI=1/C15H12N2/c1-2-6-13(7-3-1)10-11-17-12-16-14-8-4-5-9-15(14)17/h1-
12H

 
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