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194417-13-5 | Benzonitrile, 2-[5-[(2-butyl-1H-benzimidazol-1-yl)methyl]-2-thienyl]-
CAS No: 194417-13-5 Catalog No: AG0074LJ MDL No:
Product Description
Catalog Number:
AG0074LJ
Chemical Name:
Benzonitrile, 2-[5-[(2-butyl-1H-benzimidazol-1-yl)methyl]-2-thienyl]-
CAS Number:
194417-13-5
Molecular Formula:
C23H21N3S
Molecular Weight:
371.4979
IUPAC Name:
2-[5-[(2-butylbenzimidazol-1-yl)methyl]thiophen-2-yl]benzonitrile
InChI:
InChI=1S/C23H21N3S/c1-2-3-12-23-25-20-10-6-7-11-21(20)26(23)16-18-13-14-22(27-18)19-9-5-4-8-17(19)15-24/h4-11,13-14H,2-3,12,16H2,1H3
InChI Key:
UOGQVIUTBDLCKT-UHFFFAOYSA-N
SMILES:
CCCCc1nc2c(n1Cc1ccc(s1)c1ccccc1C#N)cccc2
Properties
Complexity:
529
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
371.146g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
371.502g/mol
Monoisotopic Mass:
371.146g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
69.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.9
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