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Home > Imidazoles > 69417-07-8
69417-07-8 | 2-[(1-(PYRIDIN-2-YL)-ETHYL)SULFO]-5-METHYLBENZO[D]IMIDAZOLE
CAS No: 69417-07-8 Catalog No: AG006E8W MDL No:
Product Description
Catalog Number:
AG006E8W
Chemical Name:
2-[(1-(PYRIDIN-2-YL)-ETHYL)SULFO]-5-METHYLBENZO[D]IMIDAZOLE
CAS Number:
69417-07-8
Molecular Formula:
C15H15N3O3S
Molecular Weight:
317.3629
IUPAC Name:
1-pyridin-2-ylethyl 6-methyl-1H-benzimidazole-2-sulfonate
InChI:
InChI=1S/C15H15N3O3S/c1-10-6-7-13-14(9-10)18-15(17-13)22(19,20)21-11(2)12-5-3-4-8-16-12/h3-9,11H,1-2H3,(H,17,18)
InChI Key:
MHZDEQBZZBGNLP-UHFFFAOYSA-N
SMILES:
Cc1ccc2c(c1)[nH]c(n2)S(=O)(=O)OC(c1ccccn1)C
Properties
Complexity:
479
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
317.083g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
317.363g/mol
Monoisotopic Mass:
317.083g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
93.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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