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852956-06-0 | 1H-Benzimidazole, 5-chloro-2-(5-methyl-2-thienyl)-1-(phenylmethyl)-
CAS No: 852956-06-0 Catalog No: AG004PLC MDL No:
Product Description
Catalog Number:
AG004PLC
Chemical Name:
1H-Benzimidazole, 5-chloro-2-(5-methyl-2-thienyl)-1-(phenylmethyl)-
CAS Number:
852956-06-0
Molecular Formula:
C19H15ClN2S
Molecular Weight:
338.8538
IUPAC Name:
1-benzyl-5-chloro-2-(5-methylthiophen-2-yl)benzimidazole
InChI:
InChI=1S/C19H15ClN2S/c1-13-7-10-18(23-13)19-21-16-11-15(20)8-9-17(16)22(19)12-14-5-3-2-4-6-14/h2-11H,12H2,1H3
InChI Key:
KTSORFFGBUAROM-UHFFFAOYSA-N
SMILES:
Cc1ccc(s1)c1nc2c(n1Cc1ccccc1)ccc(c2)Cl
Properties
Complexity:
401
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
338.064g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
338.853g/mol
Monoisotopic Mass:
338.064g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
46.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.4
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