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Home > Imidazoles > 6528-92-3
6528-92-3 | 1H-Benzimidazole, 2-(4-thiazolylmethyl)-
CAS No: 6528-92-3 Catalog No: AG00H5UF MDL No:
Product Description
Catalog Number:
AG00H5UF
Chemical Name:
1H-Benzimidazole, 2-(4-thiazolylmethyl)-
CAS Number:
6528-92-3
Molecular Formula:
C11H9N3S
Molecular Weight:
215.2743
IUPAC Name:
4-(1H-benzimidazol-2-ylmethyl)-1,3-thiazole
InChI:
InChI=1S/C11H9N3S/c1-2-4-10-9(3-1)13-11(14-10)5-8-6-15-7-12-8/h1-4,6-7H,5H2,(H,13,14)
InChI Key:
CILLWQBDQGROKA-UHFFFAOYSA-N
SMILES:
c1scc(n1)Cc1nc2c([nH]1)cccc2
Properties
Complexity:
224
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
215.052g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
215.274g/mol
Monoisotopic Mass:
215.052g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
69.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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