About 4-[[5-bromo-1-(3-methylsulfonylpropyl)benzimidazol-2-yl]methyl]-1-cyclopropyl-2H-pyrido[3,4-b]pyrazin-3-one;1-[[5-bromo-1-(3-methylsulfonylpropyl)benzimidazol-2-yl]methyl]-6-methylquinoxalin-2-one;1-[[5-bromo-1-(3-methylsulfonylpropyl)benzimidazol-2-yl]methyl]-7-methylquinoxalin-2-one;4-[[5-chloro-1-(3-methylsulfonylpropyl)benzimidazol-2-yl]methyl]-1-cyclopropyl-2H-pyrido[3,4-b]pyrazin-3-one;4-[[5-chloro-1-(4,4,4-trifluorobutyl)benzimidazol-2-yl]methyl]-1-cyclopropyl-2H-pyrido[3,4-b]pyrazin-3-one;1-cyclopropyl-4-[[5-fluoro-1-(4-fluorobutyl)benzimidazol-2-yl]methyl]-2H-pyrido[3,4-b]pyrazin-3-one;1-[[5-fluoro-1-(4-fluorobutyl)benzimidazol-2-yl]methyl]-6-methylquinoxalin-2-one;1-[[5-fluoro-1-(4-fluorobutyl)benzimidazol-2-yl]methyl]-7-methylquinoxalin-2-one;1-[[5-fluoro-1-(4-fluorobutyl)benzimidazol-2-yl]methyl]quinoxalin-2-one
4-[[5-bromo-1-(3-methylsulfonylpropyl)benzimidazol-2-yl]methyl]-1-cyclopropyl-2H-pyrido[3,4-b]pyrazin-3-one;1-[[5-bromo-1-(3-methylsulfonylpropyl)benzimidazol-2-yl]methyl]-6-methylquinoxalin-2-one;1-[[5-bromo-1-(3-methylsulfonylpropyl)benzimidazol-2-yl]methyl]-7-methylquinoxalin-2-one;4-[[5-chloro-1-(3-methylsulfonylpropyl)benzimidazol-2-yl]methyl]-1-cyclopropyl-2H-pyrido[3,4-b]pyrazin-3-one;4-[[5-chloro-1-(4,4,4-trifluorobutyl)benzimidazol-2-yl]methyl]-1-cyclopropyl-2H-pyrido[3,4-b]pyrazin-3-one;1-cyclopropyl-4-[[5-fluoro-1-(4-fluorobutyl)benzimidazol-2-yl]methyl]-2H-pyrido[3,4-b]pyrazin-3-one;1-[[5-fluoro-1-(4-fluorobutyl)benzimidazol-2-yl]methyl]-6-methylquinoxalin-2-one;1-[[5-fluoro-1-(4-fluorobutyl)benzimidazol-2-yl]methyl]-7-methylquinoxalin-2-one;1-[[5-fluoro-1-(4-fluorobutyl)benzimidazol-2-yl]methyl]quinoxalin-2-one (PubChem CID 159750897) has the molecular formula C192H192Br3Cl2F11N40O17S4
and a molecular weight of 3979.77 g/mol. Its IUPAC name is 4-[[5-bromo-1-(3-methylsulfonylpropyl)benzimidazol-2-yl]methyl]-1-cyclopropyl-2H-pyrido[3,4-b]pyrazin-3-one;1-[[5-bromo-1-(3-methylsulfonylpropyl)benzimidazol-2-yl]methyl]-6-methylquinoxalin-2-one;1-[[5-bromo-1-(3-methylsulfonylpropyl)benzimidazol-2-yl]methyl]-7-methylquinoxalin-2-one;4-[[5-chloro-1-(3-methylsulfonylpropyl)benzimidazol-2-yl]methyl]-1-cyclopropyl-2H-pyrido[3,4-b]pyrazin-3-one;4-[[5-chloro-1-(4,4,4-trifluorobutyl)benzimidazol-2-yl]methyl]-1-cyclopropyl-2H-pyrido[3,4-b]pyrazin-3-one;1-cyclopropyl-4-[[5-fluoro-1-(4-fluorobutyl)benzimidazol-2-yl]methyl]-2H-pyrido[3,4-b]pyrazin-3-one;1-[[5-fluoro-1-(4-fluorobutyl)benzimidazol-2-yl]methyl]-6-methylquinoxalin-2-one;1-[[5-fluoro-1-(4-fluorobutyl)benzimidazol-2-yl]methyl]-7-methylquinoxalin-2-one;1-[[5-fluoro-1-(4-fluorobutyl)benzimidazol-2-yl]methyl]quinoxalin-2-one.
Frequently Asked Questions
What is the IUPAC name of 4-[[5-bromo-1-(3-methylsulfonylpropyl)benzimidazol-2-yl]methyl]-1-cyclopropyl-2H-pyrido[3,4-b]pyrazin-3-one;1-[[5-bromo-1-(3-methylsulfonylpropyl)benzimidazol-2-yl]methyl]-6-methylquinoxalin-2-one;1-[[5-bromo-1-(3-methylsulfonylpropyl)benzimidazol-2-yl]methyl]-7-methylquinoxalin-2-one;4-[[5-chloro-1-(3-methylsulfonylpropyl)benzimidazol-2-yl]methyl]-1-cyclopropyl-2H-pyrido[3,4-b]pyrazin-3-one;4-[[5-chloro-1-(4,4,4-trifluorobutyl)benzimidazol-2-yl]methyl]-1-cyclopropyl-2H-pyrido[3,4-b]pyrazin-3-one;1-cyclopropyl-4-[[5-fluoro-1-(4-fluorobutyl)benzimidazol-2-yl]methyl]-2H-pyrido[3,4-b]pyrazin-3-one;1-[[5-fluoro-1-(4-fluorobutyl)benzimidazol-2-yl]methyl]-6-methylquinoxalin-2-one;1-[[5-fluoro-1-(4-fluorobutyl)benzimidazol-2-yl]methyl]-7-methylquinoxalin-2-one;1-[[5-fluoro-1-(4-fluorobutyl)benzimidazol-2-yl]methyl]quinoxalin-2-one?
The IUPAC name of 4-[[5-bromo-1-(3-methylsulfonylpropyl)benzimidazol-2-yl]methyl]-1-cyclopropyl-2H-pyrido[3,4-b]pyrazin-3-one;1-[[5-bromo-1-(3-methylsulfonylpropyl)benzimidazol-2-yl]methyl]-6-methylquinoxalin-2-one;1-[[5-bromo-1-(3-methylsulfonylpropyl)benzimidazol-2-yl]methyl]-7-methylquinoxalin-2-one;4-[[5-chloro-1-(3-methylsulfonylpropyl)benzimidazol-2-yl]methyl]-1-cyclopropyl-2H-pyrido[3,4-b]pyrazin-3-one;4-[[5-chloro-1-(4,4,4-trifluorobutyl)benzimidazol-2-yl]methyl]-1-cyclopropyl-2H-pyrido[3,4-b]pyrazin-3-one;1-cyclopropyl-4-[[5-fluoro-1-(4-fluorobutyl)benzimidazol-2-yl]methyl]-2H-pyrido[3,4-b]pyrazin-3-one;1-[[5-fluoro-1-(4-fluorobutyl)benzimidazol-2-yl]methyl]-6-methylquinoxalin-2-one;1-[[5-fluoro-1-(4-fluorobutyl)benzimidazol-2-yl]methyl]-7-methylquinoxalin-2-one;1-[[5-fluoro-1-(4-fluorobutyl)benzimidazol-2-yl]methyl]quinoxalin-2-one (CID 159750897) is 4-[[5-bromo-1-(3-methylsulfonylpropyl)benzimidazol-2-yl]methyl]-1-cyclopropyl-2H-pyrido[3,4-b]pyrazin-3-one;1-[[5-bromo-1-(3-methylsulfonylpropyl)benzimidazol-2-yl]methyl]-6-methylquinoxalin-2-one;1-[[5-bromo-1-(3-methylsulfonylpropyl)benzimidazol-2-yl]methyl]-7-methylquinoxalin-2-one;4-[[5-chloro-1-(3-methylsulfonylpropyl)benzimidazol-2-yl]methyl]-1-cyclopropyl-2H-pyrido[3,4-b]pyrazin-3-one;4-[[5-chloro-1-(4,4,4-trifluorobutyl)benzimidazol-2-yl]methyl]-1-cyclopropyl-2H-pyrido[3,4-b]pyrazin-3-one;1-cyclopropyl-4-[[5-fluoro-1-(4-fluorobutyl)benzimidazol-2-yl]methyl]-2H-pyrido[3,4-b]pyrazin-3-one;1-[[5-fluoro-1-(4-fluorobutyl)benzimidazol-2-yl]methyl]-6-methylquinoxalin-2-one;1-[[5-fluoro-1-(4-fluorobutyl)benzimidazol-2-yl]methyl]-7-methylquinoxalin-2-one;1-[[5-fluoro-1-(4-fluorobutyl)benzimidazol-2-yl]methyl]quinoxalin-2-one.
What is the SMILES notation for 4-[[5-bromo-1-(3-methylsulfonylpropyl)benzimidazol-2-yl]methyl]-1-cyclopropyl-2H-pyrido[3,4-b]pyrazin-3-one;1-[[5-bromo-1-(3-methylsulfonylpropyl)benzimidazol-2-yl]methyl]-6-methylquinoxalin-2-one;1-[[5-bromo-1-(3-methylsulfonylpropyl)benzimidazol-2-yl]methyl]-7-methylquinoxalin-2-one;4-[[5-chloro-1-(3-methylsulfonylpropyl)benzimidazol-2-yl]methyl]-1-cyclopropyl-2H-pyrido[3,4-b]pyrazin-3-one;4-[[5-chloro-1-(4,4,4-trifluorobutyl)benzimidazol-2-yl]methyl]-1-cyclopropyl-2H-pyrido[3,4-b]pyrazin-3-one;1-cyclopropyl-4-[[5-fluoro-1-(4-fluorobutyl)benzimidazol-2-yl]methyl]-2H-pyrido[3,4-b]pyrazin-3-one;1-[[5-fluoro-1-(4-fluorobutyl)benzimidazol-2-yl]methyl]-6-methylquinoxalin-2-one;1-[[5-fluoro-1-(4-fluorobutyl)benzimidazol-2-yl]methyl]-7-methylquinoxalin-2-one;1-[[5-fluoro-1-(4-fluorobutyl)benzimidazol-2-yl]methyl]quinoxalin-2-one?
The canonical SMILES for 4-[[5-bromo-1-(3-methylsulfonylpropyl)benzimidazol-2-yl]methyl]-1-cyclopropyl-2H-pyrido[3,4-b]pyrazin-3-one;1-[[5-bromo-1-(3-methylsulfonylpropyl)benzimidazol-2-yl]methyl]-6-methylquinoxalin-2-one;1-[[5-bromo-1-(3-methylsulfonylpropyl)benzimidazol-2-yl]methyl]-7-methylquinoxalin-2-one;4-[[5-chloro-1-(3-methylsulfonylpropyl)benzimidazol-2-yl]methyl]-1-cyclopropyl-2H-pyrido[3,4-b]pyrazin-3-one;4-[[5-chloro-1-(4,4,4-trifluorobutyl)benzimidazol-2-yl]methyl]-1-cyclopropyl-2H-pyrido[3,4-b]pyrazin-3-one;1-cyclopropyl-4-[[5-fluoro-1-(4-fluorobutyl)benzimidazol-2-yl]methyl]-2H-pyrido[3,4-b]pyrazin-3-one;1-[[5-fluoro-1-(4-fluorobutyl)benzimidazol-2-yl]methyl]-6-methylquinoxalin-2-one;1-[[5-fluoro-1-(4-fluorobutyl)benzimidazol-2-yl]methyl]-7-methylquinoxalin-2-one;1-[[5-fluoro-1-(4-fluorobutyl)benzimidazol-2-yl]methyl]quinoxalin-2-one is CS(=O)(=O)CCCn1c(CN2C(=O)CN(C3CC3)c3ccncc32)nc2cc(Br)ccc21.CS(=O)(=O)CCCn1c(CN2C(=O)CN(C3CC3)c3ccncc32)nc2cc(Cl)ccc21.Cc1ccc2c(c1)ncc(=O)n2Cc1nc2cc(Br)ccc2n1CCCS(C)(=O)=O.Cc1ccc2c(c1)ncc(=O)n2Cc1nc2cc(F)ccc2n1CCCCF.Cc1ccc2ncc(=O)n(Cc3nc4cc(Br)ccc4n3CCCS(C)(=O)=O)c2c1.Cc1ccc2ncc(=O)n(Cc3nc4cc(F)ccc4n3CCCCF)c2c1.O=C1CN(C2CC2)c2ccncc2N1Cc1nc2cc(Cl)ccc2n1CCCC(F)(F)F.O=C1CN(C2CC2)c2ccncc2N1Cc1nc2cc(F)ccc2n1CCCCF.O=c1cnc2ccccc2n1Cc1nc2cc(F)ccc2n1CCCCF.
What is the InChIKey of 4-[[5-bromo-1-(3-methylsulfonylpropyl)benzimidazol-2-yl]methyl]-1-cyclopropyl-2H-pyrido[3,4-b]pyrazin-3-one;1-[[5-bromo-1-(3-methylsulfonylpropyl)benzimidazol-2-yl]methyl]-6-methylquinoxalin-2-one;1-[[5-bromo-1-(3-methylsulfonylpropyl)benzimidazol-2-yl]methyl]-7-methylquinoxalin-2-one;4-[[5-chloro-1-(3-methylsulfonylpropyl)benzimidazol-2-yl]methyl]-1-cyclopropyl-2H-pyrido[3,4-b]pyrazin-3-one;4-[[5-chloro-1-(4,4,4-trifluorobutyl)benzimidazol-2-yl]methyl]-1-cyclopropyl-2H-pyrido[3,4-b]pyrazin-3-one;1-cyclopropyl-4-[[5-fluoro-1-(4-fluorobutyl)benzimidazol-2-yl]methyl]-2H-pyrido[3,4-b]pyrazin-3-one;1-[[5-fluoro-1-(4-fluorobutyl)benzimidazol-2-yl]methyl]-6-methylquinoxalin-2-one;1-[[5-fluoro-1-(4-fluorobutyl)benzimidazol-2-yl]methyl]-7-methylquinoxalin-2-one;1-[[5-fluoro-1-(4-fluorobutyl)benzimidazol-2-yl]methyl]quinoxalin-2-one?
The InChIKey is NDQFTGNEHQOXMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24BrN5O3S.C22H21ClF3N5O.C22H24ClN5O3S.C22H23F2N5O.2C21H21BrN4O3S.2C21H20F2N4O.C20H18F2N4O/c1-32(30,31)10-2-9-26-18-6-3-15(23)11-17(18)25-21(26)13-28-20-12-24-8-7-19(20)27(14-22(28)29)16-4-5-16;23-14-2-5-17-16(10-14)28-20(29(17)9-1-7-22(24,25)26)12-31-19-11-27-8-6-18(19)30(13-21(31)32)15-3-4-15;1-32(30,31)10-2-9-26-18-6-3-15(23)11-17(18)25-21(26)13-28-20-12-24-8-7-19(20)27(14-22(28)29)16-4-5-16;23-8-1-2-10-27-18-6-3-15(24)11-17(18)26-21(27)13-29-20-12-25-9-7-19(20)28(14-22(29)30)16-4-5-16;1-14-4-6-18-16(10-14)23-12-21(27)26(18)13-20-24-17-11-15(22)5-7-19(17)25(20)8-3-9-30(2,28)29;1-14-4-6-16-19(10-14)26(21(27)12-23-16)13-20-24-17-11-15(22)5-7-18(17)25(20)8-3-9-30(2,28)29;1-14-4-6-18-16(10-14)24-12-21(28)27(18)13-20-25-17-11-15(23)5-7-19(17)26(20)9-3-2-8-22;1-14-4-6-16-19(10-14)27(21(28)12-24-16)13-20-25-17-11-15(23)5-7-18(17)26(20)9-3-2-8-22;21-9-3-4-10-25-18-8-7-14(22)11-16(18)24-19(25)13-26-17-6-2-1-5-15(17)23-12-20(26)27/h3,6-8,11-12,16H,2,4-5,9-10,13-14H2,1H3;2,5-6,8,10-11,15H,1,3-4,7,9,12-13H2;3,6-8,11-12,16H,2,4-5,9-10,13-14H2,1H3;3,6-7,9,11-12,16H,1-2,4-5,8,10,13-14H2;2*4-7,10-12H,3,8-9,13H2,1-2H3;2*4-7,10-12H,2-3,8-9,13H2,1H3;1-2,5-8,11-12H,3-4,9-10,13H2.
What are the key properties of 4-[[5-bromo-1-(3-methylsulfonylpropyl)benzimidazol-2-yl]methyl]-1-cyclopropyl-2H-pyrido[3,4-b]pyrazin-3-one;1-[[5-bromo-1-(3-methylsulfonylpropyl)benzimidazol-2-yl]methyl]-6-methylquinoxalin-2-one;1-[[5-bromo-1-(3-methylsulfonylpropyl)benzimidazol-2-yl]methyl]-7-methylquinoxalin-2-one;4-[[5-chloro-1-(3-methylsulfonylpropyl)benzimidazol-2-yl]methyl]-1-cyclopropyl-2H-pyrido[3,4-b]pyrazin-3-one;4-[[5-chloro-1-(4,4,4-trifluorobutyl)benzimidazol-2-yl]methyl]-1-cyclopropyl-2H-pyrido[3,4-b]pyrazin-3-one;1-cyclopropyl-4-[[5-fluoro-1-(4-fluorobutyl)benzimidazol-2-yl]methyl]-2H-pyrido[3,4-b]pyrazin-3-one;1-[[5-fluoro-1-(4-fluorobutyl)benzimidazol-2-yl]methyl]-6-methylquinoxalin-2-one;1-[[5-fluoro-1-(4-fluorobutyl)benzimidazol-2-yl]methyl]-7-methylquinoxalin-2-one;1-[[5-fluoro-1-(4-fluorobutyl)benzimidazol-2-yl]methyl]quinoxalin-2-one?
4-[[5-bromo-1-(3-methylsulfonylpropyl)benzimidazol-2-yl]methyl]-1-cyclopropyl-2H-pyrido[3,4-b]pyrazin-3-one;1-[[5-bromo-1-(3-methylsulfonylpropyl)benzimidazol-2-yl]methyl]-6-methylquinoxalin-2-one;1-[[5-bromo-1-(3-methylsulfonylpropyl)benzimidazol-2-yl]methyl]-7-methylquinoxalin-2-one;4-[[5-chloro-1-(3-methylsulfonylpropyl)benzimidazol-2-yl]methyl]-1-cyclopropyl-2H-pyrido[3,4-b]pyrazin-3-one;4-[[5-chloro-1-(4,4,4-trifluorobutyl)benzimidazol-2-yl]methyl]-1-cyclopropyl-2H-pyrido[3,4-b]pyrazin-3-one;1-cyclopropyl-4-[[5-fluoro-1-(4-fluorobutyl)benzimidazol-2-yl]methyl]-2H-pyrido[3,4-b]pyrazin-3-one;1-[[5-fluoro-1-(4-fluorobutyl)benzimidazol-2-yl]methyl]-6-methylquinoxalin-2-one;1-[[5-fluoro-1-(4-fluorobutyl)benzimidazol-2-yl]methyl]-7-methylquinoxalin-2-one;1-[[5-fluoro-1-(4-fluorobutyl)benzimidazol-2-yl]methyl]quinoxalin-2-one has a molecular weight of 3979.77 g/mol, XLogP of 33.22, 57 rotatable bonds, 0 hydrogen bond donors, and 53 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-bromo-1-(3-methylsulfonylpropyl)benzimidazol-2-yl]methyl]-1-cyclopropyl-2H-pyrido[3,4-b]pyrazin-3-one;1-[[5-bromo-1-(3-methylsulfonylpropyl)benzimidazol-2-yl]methyl]-6-methylquinoxalin-2-one;1-[[5-bromo-1-(3-methylsulfonylpropyl)benzimidazol-2-yl]methyl]-7-methylquinoxalin-2-one;4-[[5-chloro-1-(3-methylsulfonylpropyl)benzimidazol-2-yl]methyl]-1-cyclopropyl-2H-pyrido[3,4-b]pyrazin-3-one;4-[[5-chloro-1-(4,4,4-trifluorobutyl)benzimidazol-2-yl]methyl]-1-cyclopropyl-2H-pyrido[3,4-b]pyrazin-3-one;1-cyclopropyl-4-[[5-fluoro-1-(4-fluorobutyl)benzimidazol-2-yl]methyl]-2H-pyrido[3,4-b]pyrazin-3-one;1-[[5-fluoro-1-(4-fluorobutyl)benzimidazol-2-yl]methyl]-6-methylquinoxalin-2-one;1-[[5-fluoro-1-(4-fluorobutyl)benzimidazol-2-yl]methyl]-7-methylquinoxalin-2-one;1-[[5-fluoro-1-(4-fluorobutyl)benzimidazol-2-yl]methyl]quinoxalin-2-one is sourced from PubChem (CID 159750897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).