About 6-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-1,3-dimethyl-4-(oxan-4-yl)benzimidazol-2-one;6-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-1,3-dimethyl-4-(1-oxo-3,6-dihydro-2H-thiopyran-4-yl)benzimidazol-2-one;6-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-1,3-dimethyl-4-propan-2-ylbenzimidazol-2-one;6-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-1,3-dimethyl-4-propylbenzimidazol-2-one;1,3-dimethyl-5-[4-methyl-6-(1-methylpyrazol-4-yl)-7-(trifluoromethyl)-2,3-dihydroquinoxalin-1-yl]benzimidazol-2-one;1,3-dimethyl-5-[3-(1-methylpyrazol-4-yl)isoquinolin-8-yl]benzimidazol-2-one
6-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-1,3-dimethyl-4-(oxan-4-yl)benzimidazol-2-one;6-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-1,3-dimethyl-4-(1-oxo-3,6-dihydro-2H-thiopyran-4-yl)benzimidazol-2-one;6-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-1,3-dimethyl-4-propan-2-ylbenzimidazol-2-one;6-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-1,3-dimethyl-4-propylbenzimidazol-2-one;1,3-dimethyl-5-[4-methyl-6-(1-methylpyrazol-4-yl)-7-(trifluoromethyl)-2,3-dihydroquinoxalin-1-yl]benzimidazol-2-one;1,3-dimethyl-5-[3-(1-methylpyrazol-4-yl)isoquinolin-8-yl]benzimidazol-2-one (PubChem CID 158020958) has the molecular formula C153H160F11N31O8S
and a molecular weight of 2802.22 g/mol. Its IUPAC name is 6-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-1,3-dimethyl-4-(oxan-4-yl)benzimidazol-2-one;6-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-1,3-dimethyl-4-(1-oxo-3,6-dihydro-2H-thiopyran-4-yl)benzimidazol-2-one;6-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-1,3-dimethyl-4-propan-2-ylbenzimidazol-2-one;6-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-1,3-dimethyl-4-propylbenzimidazol-2-one;1,3-dimethyl-5-[4-methyl-6-(1-methylpyrazol-4-yl)-7-(trifluoromethyl)-2,3-dihydroquinoxalin-1-yl]benzimidazol-2-one;1,3-dimethyl-5-[3-(1-methylpyrazol-4-yl)isoquinolin-8-yl]benzimidazol-2-one.
Frequently Asked Questions
What is the IUPAC name of 6-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-1,3-dimethyl-4-(oxan-4-yl)benzimidazol-2-one;6-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-1,3-dimethyl-4-(1-oxo-3,6-dihydro-2H-thiopyran-4-yl)benzimidazol-2-one;6-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-1,3-dimethyl-4-propan-2-ylbenzimidazol-2-one;6-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-1,3-dimethyl-4-propylbenzimidazol-2-one;1,3-dimethyl-5-[4-methyl-6-(1-methylpyrazol-4-yl)-7-(trifluoromethyl)-2,3-dihydroquinoxalin-1-yl]benzimidazol-2-one;1,3-dimethyl-5-[3-(1-methylpyrazol-4-yl)isoquinolin-8-yl]benzimidazol-2-one?
The IUPAC name of 6-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-1,3-dimethyl-4-(oxan-4-yl)benzimidazol-2-one;6-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-1,3-dimethyl-4-(1-oxo-3,6-dihydro-2H-thiopyran-4-yl)benzimidazol-2-one;6-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-1,3-dimethyl-4-propan-2-ylbenzimidazol-2-one;6-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-1,3-dimethyl-4-propylbenzimidazol-2-one;1,3-dimethyl-5-[4-methyl-6-(1-methylpyrazol-4-yl)-7-(trifluoromethyl)-2,3-dihydroquinoxalin-1-yl]benzimidazol-2-one;1,3-dimethyl-5-[3-(1-methylpyrazol-4-yl)isoquinolin-8-yl]benzimidazol-2-one (CID 158020958) is 6-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-1,3-dimethyl-4-(oxan-4-yl)benzimidazol-2-one;6-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-1,3-dimethyl-4-(1-oxo-3,6-dihydro-2H-thiopyran-4-yl)benzimidazol-2-one;6-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-1,3-dimethyl-4-propan-2-ylbenzimidazol-2-one;6-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-1,3-dimethyl-4-propylbenzimidazol-2-one;1,3-dimethyl-5-[4-methyl-6-(1-methylpyrazol-4-yl)-7-(trifluoromethyl)-2,3-dihydroquinoxalin-1-yl]benzimidazol-2-one;1,3-dimethyl-5-[3-(1-methylpyrazol-4-yl)isoquinolin-8-yl]benzimidazol-2-one.
What is the SMILES notation for 6-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-1,3-dimethyl-4-(oxan-4-yl)benzimidazol-2-one;6-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-1,3-dimethyl-4-(1-oxo-3,6-dihydro-2H-thiopyran-4-yl)benzimidazol-2-one;6-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-1,3-dimethyl-4-propan-2-ylbenzimidazol-2-one;6-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-1,3-dimethyl-4-propylbenzimidazol-2-one;1,3-dimethyl-5-[4-methyl-6-(1-methylpyrazol-4-yl)-7-(trifluoromethyl)-2,3-dihydroquinoxalin-1-yl]benzimidazol-2-one;1,3-dimethyl-5-[3-(1-methylpyrazol-4-yl)isoquinolin-8-yl]benzimidazol-2-one?
The canonical SMILES for 6-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-1,3-dimethyl-4-(oxan-4-yl)benzimidazol-2-one;6-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-1,3-dimethyl-4-(1-oxo-3,6-dihydro-2H-thiopyran-4-yl)benzimidazol-2-one;6-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-1,3-dimethyl-4-propan-2-ylbenzimidazol-2-one;6-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-1,3-dimethyl-4-propylbenzimidazol-2-one;1,3-dimethyl-5-[4-methyl-6-(1-methylpyrazol-4-yl)-7-(trifluoromethyl)-2,3-dihydroquinoxalin-1-yl]benzimidazol-2-one;1,3-dimethyl-5-[3-(1-methylpyrazol-4-yl)isoquinolin-8-yl]benzimidazol-2-one is CC(C)c1cc(N2CCCc3cc(-c4cnn(C)c4)c(C(F)F)cc32)cc2c1n(C)c(=O)n2C.CCCc1cc(N2CCCc3cc(-c4cnn(C)c4)c(C(F)F)cc32)cc2c1n(C)c(=O)n2C.CN1CCN(c2ccc3c(c2)n(C)c(=O)n3C)c2cc(C(F)(F)F)c(-c3cnn(C)c3)cc21.Cn1cc(-c2cc3c(cc2C(F)F)N(c2cc(C4=CCS(=O)CC4)c4c(c2)n(C)c(=O)n4C)CCC3)cn1.Cn1cc(-c2cc3c(cc2C(F)F)N(c2cc(C4CCOCC4)c4c(c2)n(C)c(=O)n4C)CCC3)cn1.Cn1cc(-c2cc3cccc(-c4ccc5c(c4)n(C)c(=O)n5C)c3cn2)cn1.
What is the InChIKey of 6-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-1,3-dimethyl-4-(oxan-4-yl)benzimidazol-2-one;6-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-1,3-dimethyl-4-(1-oxo-3,6-dihydro-2H-thiopyran-4-yl)benzimidazol-2-one;6-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-1,3-dimethyl-4-propan-2-ylbenzimidazol-2-one;6-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-1,3-dimethyl-4-propylbenzimidazol-2-one;1,3-dimethyl-5-[4-methyl-6-(1-methylpyrazol-4-yl)-7-(trifluoromethyl)-2,3-dihydroquinoxalin-1-yl]benzimidazol-2-one;1,3-dimethyl-5-[3-(1-methylpyrazol-4-yl)isoquinolin-8-yl]benzimidazol-2-one?
The InChIKey is FGBBTBPWTJDIGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29F2N5O2S.C28H31F2N5O2.2C26H29F2N5O.C23H23F3N6O.C22H19N5O/c1-32-16-19(15-31-32)21-11-18-5-4-8-35(24(18)14-23(21)27(29)30)20-12-22(17-6-9-38(37)10-7-17)26-25(13-20)33(2)28(36)34(26)3;1-32-16-19(15-31-32)21-11-18-5-4-8-35(24(18)14-23(21)27(29)30)20-12-22(17-6-9-37-10-7-17)26-25(13-20)33(2)28(36)34(26)3;1-15(2)19-10-18(11-23-24(19)32(5)26(34)31(23)4)33-8-6-7-16-9-20(17-13-29-30(3)14-17)21(25(27)28)12-22(16)33;1-5-7-17-10-19(12-23-24(17)32(4)26(34)31(23)3)33-9-6-8-16-11-20(18-14-29-30(2)15-18)21(25(27)28)13-22(16)33;1-28-7-8-32(15-5-6-18-20(9-15)31(4)22(33)30(18)3)21-11-17(23(24,25)26)16(10-19(21)28)14-12-27-29(2)13-14;1-25-13-16(11-24-25)19-9-14-5-4-6-17(18(14)12-23-19)15-7-8-20-21(10-15)27(3)22(28)26(20)2/h6,11-16,27H,4-5,7-10H2,1-3H3;11-17,27H,4-10H2,1-3H3;9-15,25H,6-8H2,1-5H3;10-15,25H,5-9H2,1-4H3;5-6,9-13H,7-8H2,1-4H3;4-13H,1-3H3.
What are the key properties of 6-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-1,3-dimethyl-4-(oxan-4-yl)benzimidazol-2-one;6-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-1,3-dimethyl-4-(1-oxo-3,6-dihydro-2H-thiopyran-4-yl)benzimidazol-2-one;6-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-1,3-dimethyl-4-propan-2-ylbenzimidazol-2-one;6-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-1,3-dimethyl-4-propylbenzimidazol-2-one;1,3-dimethyl-5-[4-methyl-6-(1-methylpyrazol-4-yl)-7-(trifluoromethyl)-2,3-dihydroquinoxalin-1-yl]benzimidazol-2-one;1,3-dimethyl-5-[3-(1-methylpyrazol-4-yl)isoquinolin-8-yl]benzimidazol-2-one?
6-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-1,3-dimethyl-4-(oxan-4-yl)benzimidazol-2-one;6-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-1,3-dimethyl-4-(1-oxo-3,6-dihydro-2H-thiopyran-4-yl)benzimidazol-2-one;6-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-1,3-dimethyl-4-propan-2-ylbenzimidazol-2-one;6-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-1,3-dimethyl-4-propylbenzimidazol-2-one;1,3-dimethyl-5-[4-methyl-6-(1-methylpyrazol-4-yl)-7-(trifluoromethyl)-2,3-dihydroquinoxalin-1-yl]benzimidazol-2-one;1,3-dimethyl-5-[3-(1-methylpyrazol-4-yl)isoquinolin-8-yl]benzimidazol-2-one has a molecular weight of 2802.22 g/mol, XLogP of 28.08, 21 rotatable bonds, 0 hydrogen bond donors, and 39 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-1,3-dimethyl-4-(oxan-4-yl)benzimidazol-2-one;6-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-1,3-dimethyl-4-(1-oxo-3,6-dihydro-2H-thiopyran-4-yl)benzimidazol-2-one;6-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-1,3-dimethyl-4-propan-2-ylbenzimidazol-2-one;6-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-1,3-dimethyl-4-propylbenzimidazol-2-one;1,3-dimethyl-5-[4-methyl-6-(1-methylpyrazol-4-yl)-7-(trifluoromethyl)-2,3-dihydroquinoxalin-1-yl]benzimidazol-2-one;1,3-dimethyl-5-[3-(1-methylpyrazol-4-yl)isoquinolin-8-yl]benzimidazol-2-one is sourced from PubChem (CID 158020958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).