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113855-38-2 | 1H-Benzimidazole, 2-[(imidazo[1,2-a]pyridin-3-ylmethyl)sulfinyl]-
CAS No: 113855-38-2 Catalog No: AG0009XI MDL No:
Product Description
Catalog Number:
AG0009XI
Chemical Name:
1H-Benzimidazole, 2-[(imidazo[1,2-a]pyridin-3-ylmethyl)sulfinyl]-
CAS Number:
113855-38-2
Molecular Formula:
C15H12N4OS
Molecular Weight:
296.3470
IUPAC Name:
2-(imidazo[1,2-a]pyridin-3-ylmethylsulfinyl)-1H-benzimidazole
InChI:
InChI=1S/C15H12N4OS/c20-21(15-17-12-5-1-2-6-13(12)18-15)10-11-9-16-14-7-3-4-8-19(11)14/h1-9H,10H2,(H,17,18)
InChI Key:
XNGIWMBQQRXWDW-UHFFFAOYSA-N
SMILES:
O=S(c1nc2c([nH]1)cccc2)Cc1cnc2n1cccc2
Properties
Complexity:
407
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
296.073g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
296.348g/mol
Monoisotopic Mass:
296.073g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
82.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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