About 3-ethyl-N-(5-isocyano-1H-imidazol-4-yl)-2-[2,2,2-trifluoro-1-(4-fluorophenyl)-1-hydroxyethyl]benzimidazole-5-carboxamide;3-ethyl-N-(3-methylphenyl)-2-[2,2,2-trifluoro-1-(4-fluorophenyl)-1-hydroxyethyl]benzimidazole-5-carboxamide;3-ethyl-N-(4-methylphenyl)-2-[2,2,2-trifluoro-1-(4-fluorophenyl)-1-hydroxyethyl]benzimidazole-5-carboxamide;3-ethyl-N-(2-pyrrolidin-1-ylethyl)-2-[2,2,2-trifluoro-1-(4-fluorophenyl)-1-hydroxyethyl]benzimidazole-5-carboxamide;4-[3-ethyl-2-[2,2,2-trifluoro-1-(4-fluorophenyl)-1-hydroxyethyl]benzimidazole-5-carbonyl]-1-(4-methylphenyl)piperazin-2-one;8-[3-ethyl-2-[2,2,2-trifluoro-1-(4-fluorophenyl)-1-hydroxyethyl]benzimidazole-5-carbonyl]-1-phenyl-1,8-diazaspiro[4.5]decan-4-one
3-ethyl-N-(5-isocyano-1H-imidazol-4-yl)-2-[2,2,2-trifluoro-1-(4-fluorophenyl)-1-hydroxyethyl]benzimidazole-5-carboxamide;3-ethyl-N-(3-methylphenyl)-2-[2,2,2-trifluoro-1-(4-fluorophenyl)-1-hydroxyethyl]benzimidazole-5-carboxamide;3-ethyl-N-(4-methylphenyl)-2-[2,2,2-trifluoro-1-(4-fluorophenyl)-1-hydroxyethyl]benzimidazole-5-carboxamide;3-ethyl-N-(2-pyrrolidin-1-ylethyl)-2-[2,2,2-trifluoro-1-(4-fluorophenyl)-1-hydroxyethyl]benzimidazole-5-carboxamide;4-[3-ethyl-2-[2,2,2-trifluoro-1-(4-fluorophenyl)-1-hydroxyethyl]benzimidazole-5-carbonyl]-1-(4-methylphenyl)piperazin-2-one;8-[3-ethyl-2-[2,2,2-trifluoro-1-(4-fluorophenyl)-1-hydroxyethyl]benzimidazole-5-carbonyl]-1-phenyl-1,8-diazaspiro[4.5]decan-4-one (PubChem CID 167645993) has the molecular formula C157H140F24N24O14
and a molecular weight of 3042.95 g/mol. Its IUPAC name is 3-ethyl-N-(5-isocyano-1H-imidazol-4-yl)-2-[2,2,2-trifluoro-1-(4-fluorophenyl)-1-hydroxyethyl]benzimidazole-5-carboxamide;3-ethyl-N-(3-methylphenyl)-2-[2,2,2-trifluoro-1-(4-fluorophenyl)-1-hydroxyethyl]benzimidazole-5-carboxamide;3-ethyl-N-(4-methylphenyl)-2-[2,2,2-trifluoro-1-(4-fluorophenyl)-1-hydroxyethyl]benzimidazole-5-carboxamide;3-ethyl-N-(2-pyrrolidin-1-ylethyl)-2-[2,2,2-trifluoro-1-(4-fluorophenyl)-1-hydroxyethyl]benzimidazole-5-carboxamide;4-[3-ethyl-2-[2,2,2-trifluoro-1-(4-fluorophenyl)-1-hydroxyethyl]benzimidazole-5-carbonyl]-1-(4-methylphenyl)piperazin-2-one;8-[3-ethyl-2-[2,2,2-trifluoro-1-(4-fluorophenyl)-1-hydroxyethyl]benzimidazole-5-carbonyl]-1-phenyl-1,8-diazaspiro[4.5]decan-4-one.
Frequently Asked Questions
What is the IUPAC name of 3-ethyl-N-(5-isocyano-1H-imidazol-4-yl)-2-[2,2,2-trifluoro-1-(4-fluorophenyl)-1-hydroxyethyl]benzimidazole-5-carboxamide;3-ethyl-N-(3-methylphenyl)-2-[2,2,2-trifluoro-1-(4-fluorophenyl)-1-hydroxyethyl]benzimidazole-5-carboxamide;3-ethyl-N-(4-methylphenyl)-2-[2,2,2-trifluoro-1-(4-fluorophenyl)-1-hydroxyethyl]benzimidazole-5-carboxamide;3-ethyl-N-(2-pyrrolidin-1-ylethyl)-2-[2,2,2-trifluoro-1-(4-fluorophenyl)-1-hydroxyethyl]benzimidazole-5-carboxamide;4-[3-ethyl-2-[2,2,2-trifluoro-1-(4-fluorophenyl)-1-hydroxyethyl]benzimidazole-5-carbonyl]-1-(4-methylphenyl)piperazin-2-one;8-[3-ethyl-2-[2,2,2-trifluoro-1-(4-fluorophenyl)-1-hydroxyethyl]benzimidazole-5-carbonyl]-1-phenyl-1,8-diazaspiro[4.5]decan-4-one?
The IUPAC name of 3-ethyl-N-(5-isocyano-1H-imidazol-4-yl)-2-[2,2,2-trifluoro-1-(4-fluorophenyl)-1-hydroxyethyl]benzimidazole-5-carboxamide;3-ethyl-N-(3-methylphenyl)-2-[2,2,2-trifluoro-1-(4-fluorophenyl)-1-hydroxyethyl]benzimidazole-5-carboxamide;3-ethyl-N-(4-methylphenyl)-2-[2,2,2-trifluoro-1-(4-fluorophenyl)-1-hydroxyethyl]benzimidazole-5-carboxamide;3-ethyl-N-(2-pyrrolidin-1-ylethyl)-2-[2,2,2-trifluoro-1-(4-fluorophenyl)-1-hydroxyethyl]benzimidazole-5-carboxamide;4-[3-ethyl-2-[2,2,2-trifluoro-1-(4-fluorophenyl)-1-hydroxyethyl]benzimidazole-5-carbonyl]-1-(4-methylphenyl)piperazin-2-one;8-[3-ethyl-2-[2,2,2-trifluoro-1-(4-fluorophenyl)-1-hydroxyethyl]benzimidazole-5-carbonyl]-1-phenyl-1,8-diazaspiro[4.5]decan-4-one (CID 167645993) is 3-ethyl-N-(5-isocyano-1H-imidazol-4-yl)-2-[2,2,2-trifluoro-1-(4-fluorophenyl)-1-hydroxyethyl]benzimidazole-5-carboxamide;3-ethyl-N-(3-methylphenyl)-2-[2,2,2-trifluoro-1-(4-fluorophenyl)-1-hydroxyethyl]benzimidazole-5-carboxamide;3-ethyl-N-(4-methylphenyl)-2-[2,2,2-trifluoro-1-(4-fluorophenyl)-1-hydroxyethyl]benzimidazole-5-carboxamide;3-ethyl-N-(2-pyrrolidin-1-ylethyl)-2-[2,2,2-trifluoro-1-(4-fluorophenyl)-1-hydroxyethyl]benzimidazole-5-carboxamide;4-[3-ethyl-2-[2,2,2-trifluoro-1-(4-fluorophenyl)-1-hydroxyethyl]benzimidazole-5-carbonyl]-1-(4-methylphenyl)piperazin-2-one;8-[3-ethyl-2-[2,2,2-trifluoro-1-(4-fluorophenyl)-1-hydroxyethyl]benzimidazole-5-carbonyl]-1-phenyl-1,8-diazaspiro[4.5]decan-4-one.
What is the SMILES notation for 3-ethyl-N-(5-isocyano-1H-imidazol-4-yl)-2-[2,2,2-trifluoro-1-(4-fluorophenyl)-1-hydroxyethyl]benzimidazole-5-carboxamide;3-ethyl-N-(3-methylphenyl)-2-[2,2,2-trifluoro-1-(4-fluorophenyl)-1-hydroxyethyl]benzimidazole-5-carboxamide;3-ethyl-N-(4-methylphenyl)-2-[2,2,2-trifluoro-1-(4-fluorophenyl)-1-hydroxyethyl]benzimidazole-5-carboxamide;3-ethyl-N-(2-pyrrolidin-1-ylethyl)-2-[2,2,2-trifluoro-1-(4-fluorophenyl)-1-hydroxyethyl]benzimidazole-5-carboxamide;4-[3-ethyl-2-[2,2,2-trifluoro-1-(4-fluorophenyl)-1-hydroxyethyl]benzimidazole-5-carbonyl]-1-(4-methylphenyl)piperazin-2-one;8-[3-ethyl-2-[2,2,2-trifluoro-1-(4-fluorophenyl)-1-hydroxyethyl]benzimidazole-5-carbonyl]-1-phenyl-1,8-diazaspiro[4.5]decan-4-one?
The canonical SMILES for 3-ethyl-N-(5-isocyano-1H-imidazol-4-yl)-2-[2,2,2-trifluoro-1-(4-fluorophenyl)-1-hydroxyethyl]benzimidazole-5-carboxamide;3-ethyl-N-(3-methylphenyl)-2-[2,2,2-trifluoro-1-(4-fluorophenyl)-1-hydroxyethyl]benzimidazole-5-carboxamide;3-ethyl-N-(4-methylphenyl)-2-[2,2,2-trifluoro-1-(4-fluorophenyl)-1-hydroxyethyl]benzimidazole-5-carboxamide;3-ethyl-N-(2-pyrrolidin-1-ylethyl)-2-[2,2,2-trifluoro-1-(4-fluorophenyl)-1-hydroxyethyl]benzimidazole-5-carboxamide;4-[3-ethyl-2-[2,2,2-trifluoro-1-(4-fluorophenyl)-1-hydroxyethyl]benzimidazole-5-carbonyl]-1-(4-methylphenyl)piperazin-2-one;8-[3-ethyl-2-[2,2,2-trifluoro-1-(4-fluorophenyl)-1-hydroxyethyl]benzimidazole-5-carbonyl]-1-phenyl-1,8-diazaspiro[4.5]decan-4-one is CCn1c(C(O)(c2ccc(F)cc2)C(F)(F)F)nc2ccc(C(=O)N3CCC4(CC3)C(=O)CCN4c3ccccc3)cc21.CCn1c(C(O)(c2ccc(F)cc2)C(F)(F)F)nc2ccc(C(=O)N3CCN(c4ccc(C)cc4)C(=O)C3)cc21.CCn1c(C(O)(c2ccc(F)cc2)C(F)(F)F)nc2ccc(C(=O)NCCN3CCCC3)cc21.CCn1c(C(O)(c2ccc(F)cc2)C(F)(F)F)nc2ccc(C(=O)Nc3ccc(C)cc3)cc21.CCn1c(C(O)(c2ccc(F)cc2)C(F)(F)F)nc2ccc(C(=O)Nc3cccc(C)c3)cc21.[C-]#[N+]c1[nH]cnc1NC(=O)c1ccc2nc(C(O)(c3ccc(F)cc3)C(F)(F)F)n(CC)c2c1.
What is the InChIKey of 3-ethyl-N-(5-isocyano-1H-imidazol-4-yl)-2-[2,2,2-trifluoro-1-(4-fluorophenyl)-1-hydroxyethyl]benzimidazole-5-carboxamide;3-ethyl-N-(3-methylphenyl)-2-[2,2,2-trifluoro-1-(4-fluorophenyl)-1-hydroxyethyl]benzimidazole-5-carboxamide;3-ethyl-N-(4-methylphenyl)-2-[2,2,2-trifluoro-1-(4-fluorophenyl)-1-hydroxyethyl]benzimidazole-5-carboxamide;3-ethyl-N-(2-pyrrolidin-1-ylethyl)-2-[2,2,2-trifluoro-1-(4-fluorophenyl)-1-hydroxyethyl]benzimidazole-5-carboxamide;4-[3-ethyl-2-[2,2,2-trifluoro-1-(4-fluorophenyl)-1-hydroxyethyl]benzimidazole-5-carbonyl]-1-(4-methylphenyl)piperazin-2-one;8-[3-ethyl-2-[2,2,2-trifluoro-1-(4-fluorophenyl)-1-hydroxyethyl]benzimidazole-5-carbonyl]-1-phenyl-1,8-diazaspiro[4.5]decan-4-one?
The InChIKey is PWMRICHZMGIGAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H30F4N4O3.C29H26F4N4O3.2C25H21F4N3O2.C24H26F4N4O2.C22H16F4N6O2/c1-2-39-26-20-21(8-13-25(26)37-29(39)31(43,32(34,35)36)22-9-11-23(33)12-10-22)28(42)38-18-15-30(16-19-38)27(41)14-17-40(30)24-6-4-3-5-7-24;1-3-36-24-16-19(26(39)35-14-15-37(25(38)17-35)22-11-4-18(2)5-12-22)6-13-23(24)34-27(36)28(40,29(31,32)33)20-7-9-21(30)10-8-20;1-3-32-21-14-16(22(33)30-19-11-4-15(2)5-12-19)6-13-20(21)31-23(32)24(34,25(27,28)29)17-7-9-18(26)10-8-17;1-3-32-21-14-16(22(33)30-19-6-4-5-15(2)13-19)7-12-20(21)31-23(32)24(34,25(27,28)29)17-8-10-18(26)11-9-17;1-2-32-20-15-16(21(33)29-11-14-31-12-3-4-13-31)5-10-19(20)30-22(32)23(34,24(26,27)28)17-6-8-18(25)9-7-17;1-3-32-16-10-12(19(33)31-18-17(27-2)28-11-29-18)4-9-15(16)30-20(32)21(34,22(24,25)26)13-5-7-14(23)8-6-13/h3-13,20,43H,2,14-19H2,1H3;4-13,16,40H,3,14-15,17H2,1-2H3;2*4-14,34H,3H2,1-2H3,(H,30,33);5-10,15,34H,2-4,11-14H2,1H3,(H,29,33);4-11,34H,3H2,1H3,(H,28,29)(H,31,33).
What are the key properties of 3-ethyl-N-(5-isocyano-1H-imidazol-4-yl)-2-[2,2,2-trifluoro-1-(4-fluorophenyl)-1-hydroxyethyl]benzimidazole-5-carboxamide;3-ethyl-N-(3-methylphenyl)-2-[2,2,2-trifluoro-1-(4-fluorophenyl)-1-hydroxyethyl]benzimidazole-5-carboxamide;3-ethyl-N-(4-methylphenyl)-2-[2,2,2-trifluoro-1-(4-fluorophenyl)-1-hydroxyethyl]benzimidazole-5-carboxamide;3-ethyl-N-(2-pyrrolidin-1-ylethyl)-2-[2,2,2-trifluoro-1-(4-fluorophenyl)-1-hydroxyethyl]benzimidazole-5-carboxamide;4-[3-ethyl-2-[2,2,2-trifluoro-1-(4-fluorophenyl)-1-hydroxyethyl]benzimidazole-5-carbonyl]-1-(4-methylphenyl)piperazin-2-one;8-[3-ethyl-2-[2,2,2-trifluoro-1-(4-fluorophenyl)-1-hydroxyethyl]benzimidazole-5-carbonyl]-1-phenyl-1,8-diazaspiro[4.5]decan-4-one?
3-ethyl-N-(5-isocyano-1H-imidazol-4-yl)-2-[2,2,2-trifluoro-1-(4-fluorophenyl)-1-hydroxyethyl]benzimidazole-5-carboxamide;3-ethyl-N-(3-methylphenyl)-2-[2,2,2-trifluoro-1-(4-fluorophenyl)-1-hydroxyethyl]benzimidazole-5-carboxamide;3-ethyl-N-(4-methylphenyl)-2-[2,2,2-trifluoro-1-(4-fluorophenyl)-1-hydroxyethyl]benzimidazole-5-carboxamide;3-ethyl-N-(2-pyrrolidin-1-ylethyl)-2-[2,2,2-trifluoro-1-(4-fluorophenyl)-1-hydroxyethyl]benzimidazole-5-carboxamide;4-[3-ethyl-2-[2,2,2-trifluoro-1-(4-fluorophenyl)-1-hydroxyethyl]benzimidazole-5-carbonyl]-1-(4-methylphenyl)piperazin-2-one;8-[3-ethyl-2-[2,2,2-trifluoro-1-(4-fluorophenyl)-1-hydroxyethyl]benzimidazole-5-carbonyl]-1-phenyl-1,8-diazaspiro[4.5]decan-4-one has a molecular weight of 3042.95 g/mol, XLogP of 29.69, 32 rotatable bonds, 11 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-(5-isocyano-1H-imidazol-4-yl)-2-[2,2,2-trifluoro-1-(4-fluorophenyl)-1-hydroxyethyl]benzimidazole-5-carboxamide;3-ethyl-N-(3-methylphenyl)-2-[2,2,2-trifluoro-1-(4-fluorophenyl)-1-hydroxyethyl]benzimidazole-5-carboxamide;3-ethyl-N-(4-methylphenyl)-2-[2,2,2-trifluoro-1-(4-fluorophenyl)-1-hydroxyethyl]benzimidazole-5-carboxamide;3-ethyl-N-(2-pyrrolidin-1-ylethyl)-2-[2,2,2-trifluoro-1-(4-fluorophenyl)-1-hydroxyethyl]benzimidazole-5-carboxamide;4-[3-ethyl-2-[2,2,2-trifluoro-1-(4-fluorophenyl)-1-hydroxyethyl]benzimidazole-5-carbonyl]-1-(4-methylphenyl)piperazin-2-one;8-[3-ethyl-2-[2,2,2-trifluoro-1-(4-fluorophenyl)-1-hydroxyethyl]benzimidazole-5-carbonyl]-1-phenyl-1,8-diazaspiro[4.5]decan-4-one is sourced from PubChem (CID 167645993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).