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ST5327032 1-amino-2-(1H-benzimidazol-2-yl)-3-(2-chlorophenyl)pyrido[1,

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摘 要:ST5327032 1-amino-2-(1H-benzimidazol-2-yl)-3-(2-chlorophenyl)pyrido[1,,2-a]benzimidazole-4-carbonitrile,Canonical SMILES: C1=CC=C(C(=C1)C2=C(C3=NC4=CC=CC=C4N3C(=C2C5=NC6=CC=CC=C6N5)N)C#N)Cl,InChI: InChI=1/C25H15ClN6/c26-16-8-2-1-7-14(16)21-15(13-27)2
[Synonyms]
ST5327032
[Structure]
ST5327032 1-amino-2-(1H-benzimidazol-2-yl)-3-(2-chlorophenyl)pyrido[1,

[ Properties Computed from Structure]
Molecular Weight434.8798 [g/mol]
Molecular FormulaC25H15ClN6
XLogP3.3
H-Bond Donor2
H-Bond Acceptor6
Rotatable Bond Count2
Tautomer Count5
Exact Mass434.104672
MonoIsotopic Mass434.104672
Topological Polar Surface Area95.8
Heavy Atom Count32
Formal Charge0
Complexity739
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-amino-2-(1H-benzimidazol-2-yl)-3-(2-chlorophenyl)pyrido[1,
2-a]benzimidazole-4-carbonitrile
Canonical SMILES: C1=CC=C(C(=C1)C2=C(C3=NC4=CC=CC=C4N3C(=C2C5=NC6=CC=CC=C6N5)N)C#N)Cl
InChI: InChI=1/C25H15ClN6/c26-16-8-2-1-7-14(16)21-15(13-27)25-31-19-11-5-6-12-
20(19)32(25)23(28)22(21)24-29-17-9-3-4-10-18(17)30-24/h1-12H,28H2,(H,29,
30)/f/h29H

 
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