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849064-43-3 | 1H-BENZIMIDAZOL-2-AMINE, 6-[5-(2,4-DIFLUOROPHENYL)-2-(1,1-DIMETHYLETHYL)-1H-IMIDAZOL-4-YL]-1-[(1-METHYLETHYL)SULFONYL]-, METHANESULFONATE (1:1)
CAS No: 849064-43-3 Catalog No: AG004LZY MDL No:
Product Description
Catalog Number:
AG004LZY
Chemical Name:
1H-BENZIMIDAZOL-2-AMINE, 6-[5-(2,4-DIFLUOROPHENYL)-2-(1,1-DIMETHYLETHYL)-1H-IMIDAZOL-4-YL]-1-[(1-METHYLETHYL)SULFONYL]-, METHANESULFONATE (1:1)
CAS Number:
849064-43-3
Molecular Formula:
C24H29F2N5O5S2
Molecular Weight:
569.6444
IUPAC Name:
6-[2-tert-butyl-5-(2,4-difluorophenyl)-1H-imidazol-4-yl]-1-propan-2-ylsulfonylbenzimidazol-2-amine;methanesulfonic acid
InChI:
InChI=1S/C23H25F2N5O2S.CH4O3S/c1-12(2)33(31,32)30-18-10-13(6-9-17(18)27-22(30)26)19-20(29-21(28-19)23(3,4)5)15-8-7-14(24)11-16(15)25;1-5(2,3)4/h6-12H,1-5H3,(H2,26,27)(H,28,29);1H3,(H,2,3,4)
InChI Key:
MUOZIXHHNYUODU-UHFFFAOYSA-N
SMILES:
CS(=O)(=O)O.Fc1ccc(c(c1)F)c1[nH]c(nc1c1ccc2c(c1)n(c(n2)N)S(=O)(=O)C(C)C)C(C)(C)C
Properties
Complexity:
894
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
569.158g/mol
Formal Charge:
0
Heavy Atom Count:
38
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
569.643g/mol
Monoisotopic Mass:
569.158g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
178A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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