About 3-(3-chloro-4-isocyanophenyl)-5,5-dimethyl-1-(4-propan-2-yloxyphenyl)-2-sulfanylideneimidazolidin-4-one;3-(3-chloro-4-isocyanophenyl)-1-(3-fluoro-4-propan-2-yloxyphenyl)-5,5-dimethyl-2-sulfanylideneimidazolidin-4-one;1-(3,5-difluoro-4-propan-2-yloxyphenyl)-3-(4-isocyano-3-methylphenyl)-5,5-dimethyl-2-sulfanylideneimidazolidin-4-one;3-(3-fluoro-4-isocyanophenyl)-5,5-dimethyl-1-(4-propan-2-yloxyphenyl)-2-sulfanylideneimidazolidin-4-one;1-(3-fluoro-4-propan-2-yloxyphenyl)-3-(4-isocyano-3-methylphenyl)-5,5-dimethyl-2-sulfanylideneimidazolidin-4-one;3-(4-isocyano-3-methylphenyl)-5,5-dimethyl-1-(4-propan-2-yloxyphenyl)-2-sulfanylideneimidazolidin-4-one;3-(4-isocyano-3-methylphenyl)-5,5-dimethyl-1-(6-propan-2-yloxy-3-pyridinyl)-2-sulfanylideneimidazolidin-4-one;3-(6-isocyano-5-methyl-3-pyridinyl)-5,5-dimethyl-1-(4-propan-2-yloxyphenyl)-2-sulfanylideneimidazolidin-4-one
3-(3-chloro-4-isocyanophenyl)-5,5-dimethyl-1-(4-propan-2-yloxyphenyl)-2-sulfanylideneimidazolidin-4-one;3-(3-chloro-4-isocyanophenyl)-1-(3-fluoro-4-propan-2-yloxyphenyl)-5,5-dimethyl-2-sulfanylideneimidazolidin-4-one;1-(3,5-difluoro-4-propan-2-yloxyphenyl)-3-(4-isocyano-3-methylphenyl)-5,5-dimethyl-2-sulfanylideneimidazolidin-4-one;3-(3-fluoro-4-isocyanophenyl)-5,5-dimethyl-1-(4-propan-2-yloxyphenyl)-2-sulfanylideneimidazolidin-4-one;1-(3-fluoro-4-propan-2-yloxyphenyl)-3-(4-isocyano-3-methylphenyl)-5,5-dimethyl-2-sulfanylideneimidazolidin-4-one;3-(4-isocyano-3-methylphenyl)-5,5-dimethyl-1-(4-propan-2-yloxyphenyl)-2-sulfanylideneimidazolidin-4-one;3-(4-isocyano-3-methylphenyl)-5,5-dimethyl-1-(6-propan-2-yloxy-3-pyridinyl)-2-sulfanylideneimidazolidin-4-one;3-(6-isocyano-5-methyl-3-pyridinyl)-5,5-dimethyl-1-(4-propan-2-yloxyphenyl)-2-sulfanylideneimidazolidin-4-one (PubChem CID 162000177) has the molecular formula C171H169Cl2F5N26O16S8
and a molecular weight of 3266.83 g/mol. Its IUPAC name is 3-(3-chloro-4-isocyanophenyl)-5,5-dimethyl-1-(4-propan-2-yloxyphenyl)-2-sulfanylideneimidazolidin-4-one;3-(3-chloro-4-isocyanophenyl)-1-(3-fluoro-4-propan-2-yloxyphenyl)-5,5-dimethyl-2-sulfanylideneimidazolidin-4-one;1-(3,5-difluoro-4-propan-2-yloxyphenyl)-3-(4-isocyano-3-methylphenyl)-5,5-dimethyl-2-sulfanylideneimidazolidin-4-one;3-(3-fluoro-4-isocyanophenyl)-5,5-dimethyl-1-(4-propan-2-yloxyphenyl)-2-sulfanylideneimidazolidin-4-one;1-(3-fluoro-4-propan-2-yloxyphenyl)-3-(4-isocyano-3-methylphenyl)-5,5-dimethyl-2-sulfanylideneimidazolidin-4-one;3-(4-isocyano-3-methylphenyl)-5,5-dimethyl-1-(4-propan-2-yloxyphenyl)-2-sulfanylideneimidazolidin-4-one;3-(4-isocyano-3-methylphenyl)-5,5-dimethyl-1-(6-propan-2-yloxy-3-pyridinyl)-2-sulfanylideneimidazolidin-4-one;3-(6-isocyano-5-methyl-3-pyridinyl)-5,5-dimethyl-1-(4-propan-2-yloxyphenyl)-2-sulfanylideneimidazolidin-4-one.
Frequently Asked Questions
What is the IUPAC name of 3-(3-chloro-4-isocyanophenyl)-5,5-dimethyl-1-(4-propan-2-yloxyphenyl)-2-sulfanylideneimidazolidin-4-one;3-(3-chloro-4-isocyanophenyl)-1-(3-fluoro-4-propan-2-yloxyphenyl)-5,5-dimethyl-2-sulfanylideneimidazolidin-4-one;1-(3,5-difluoro-4-propan-2-yloxyphenyl)-3-(4-isocyano-3-methylphenyl)-5,5-dimethyl-2-sulfanylideneimidazolidin-4-one;3-(3-fluoro-4-isocyanophenyl)-5,5-dimethyl-1-(4-propan-2-yloxyphenyl)-2-sulfanylideneimidazolidin-4-one;1-(3-fluoro-4-propan-2-yloxyphenyl)-3-(4-isocyano-3-methylphenyl)-5,5-dimethyl-2-sulfanylideneimidazolidin-4-one;3-(4-isocyano-3-methylphenyl)-5,5-dimethyl-1-(4-propan-2-yloxyphenyl)-2-sulfanylideneimidazolidin-4-one;3-(4-isocyano-3-methylphenyl)-5,5-dimethyl-1-(6-propan-2-yloxy-3-pyridinyl)-2-sulfanylideneimidazolidin-4-one;3-(6-isocyano-5-methyl-3-pyridinyl)-5,5-dimethyl-1-(4-propan-2-yloxyphenyl)-2-sulfanylideneimidazolidin-4-one?
The IUPAC name of 3-(3-chloro-4-isocyanophenyl)-5,5-dimethyl-1-(4-propan-2-yloxyphenyl)-2-sulfanylideneimidazolidin-4-one;3-(3-chloro-4-isocyanophenyl)-1-(3-fluoro-4-propan-2-yloxyphenyl)-5,5-dimethyl-2-sulfanylideneimidazolidin-4-one;1-(3,5-difluoro-4-propan-2-yloxyphenyl)-3-(4-isocyano-3-methylphenyl)-5,5-dimethyl-2-sulfanylideneimidazolidin-4-one;3-(3-fluoro-4-isocyanophenyl)-5,5-dimethyl-1-(4-propan-2-yloxyphenyl)-2-sulfanylideneimidazolidin-4-one;1-(3-fluoro-4-propan-2-yloxyphenyl)-3-(4-isocyano-3-methylphenyl)-5,5-dimethyl-2-sulfanylideneimidazolidin-4-one;3-(4-isocyano-3-methylphenyl)-5,5-dimethyl-1-(4-propan-2-yloxyphenyl)-2-sulfanylideneimidazolidin-4-one;3-(4-isocyano-3-methylphenyl)-5,5-dimethyl-1-(6-propan-2-yloxy-3-pyridinyl)-2-sulfanylideneimidazolidin-4-one;3-(6-isocyano-5-methyl-3-pyridinyl)-5,5-dimethyl-1-(4-propan-2-yloxyphenyl)-2-sulfanylideneimidazolidin-4-one (CID 162000177) is 3-(3-chloro-4-isocyanophenyl)-5,5-dimethyl-1-(4-propan-2-yloxyphenyl)-2-sulfanylideneimidazolidin-4-one;3-(3-chloro-4-isocyanophenyl)-1-(3-fluoro-4-propan-2-yloxyphenyl)-5,5-dimethyl-2-sulfanylideneimidazolidin-4-one;1-(3,5-difluoro-4-propan-2-yloxyphenyl)-3-(4-isocyano-3-methylphenyl)-5,5-dimethyl-2-sulfanylideneimidazolidin-4-one;3-(3-fluoro-4-isocyanophenyl)-5,5-dimethyl-1-(4-propan-2-yloxyphenyl)-2-sulfanylideneimidazolidin-4-one;1-(3-fluoro-4-propan-2-yloxyphenyl)-3-(4-isocyano-3-methylphenyl)-5,5-dimethyl-2-sulfanylideneimidazolidin-4-one;3-(4-isocyano-3-methylphenyl)-5,5-dimethyl-1-(4-propan-2-yloxyphenyl)-2-sulfanylideneimidazolidin-4-one;3-(4-isocyano-3-methylphenyl)-5,5-dimethyl-1-(6-propan-2-yloxy-3-pyridinyl)-2-sulfanylideneimidazolidin-4-one;3-(6-isocyano-5-methyl-3-pyridinyl)-5,5-dimethyl-1-(4-propan-2-yloxyphenyl)-2-sulfanylideneimidazolidin-4-one.
What is the SMILES notation for 3-(3-chloro-4-isocyanophenyl)-5,5-dimethyl-1-(4-propan-2-yloxyphenyl)-2-sulfanylideneimidazolidin-4-one;3-(3-chloro-4-isocyanophenyl)-1-(3-fluoro-4-propan-2-yloxyphenyl)-5,5-dimethyl-2-sulfanylideneimidazolidin-4-one;1-(3,5-difluoro-4-propan-2-yloxyphenyl)-3-(4-isocyano-3-methylphenyl)-5,5-dimethyl-2-sulfanylideneimidazolidin-4-one;3-(3-fluoro-4-isocyanophenyl)-5,5-dimethyl-1-(4-propan-2-yloxyphenyl)-2-sulfanylideneimidazolidin-4-one;1-(3-fluoro-4-propan-2-yloxyphenyl)-3-(4-isocyano-3-methylphenyl)-5,5-dimethyl-2-sulfanylideneimidazolidin-4-one;3-(4-isocyano-3-methylphenyl)-5,5-dimethyl-1-(4-propan-2-yloxyphenyl)-2-sulfanylideneimidazolidin-4-one;3-(4-isocyano-3-methylphenyl)-5,5-dimethyl-1-(6-propan-2-yloxy-3-pyridinyl)-2-sulfanylideneimidazolidin-4-one;3-(6-isocyano-5-methyl-3-pyridinyl)-5,5-dimethyl-1-(4-propan-2-yloxyphenyl)-2-sulfanylideneimidazolidin-4-one?
The canonical SMILES for 3-(3-chloro-4-isocyanophenyl)-5,5-dimethyl-1-(4-propan-2-yloxyphenyl)-2-sulfanylideneimidazolidin-4-one;3-(3-chloro-4-isocyanophenyl)-1-(3-fluoro-4-propan-2-yloxyphenyl)-5,5-dimethyl-2-sulfanylideneimidazolidin-4-one;1-(3,5-difluoro-4-propan-2-yloxyphenyl)-3-(4-isocyano-3-methylphenyl)-5,5-dimethyl-2-sulfanylideneimidazolidin-4-one;3-(3-fluoro-4-isocyanophenyl)-5,5-dimethyl-1-(4-propan-2-yloxyphenyl)-2-sulfanylideneimidazolidin-4-one;1-(3-fluoro-4-propan-2-yloxyphenyl)-3-(4-isocyano-3-methylphenyl)-5,5-dimethyl-2-sulfanylideneimidazolidin-4-one;3-(4-isocyano-3-methylphenyl)-5,5-dimethyl-1-(4-propan-2-yloxyphenyl)-2-sulfanylideneimidazolidin-4-one;3-(4-isocyano-3-methylphenyl)-5,5-dimethyl-1-(6-propan-2-yloxy-3-pyridinyl)-2-sulfanylideneimidazolidin-4-one;3-(6-isocyano-5-methyl-3-pyridinyl)-5,5-dimethyl-1-(4-propan-2-yloxyphenyl)-2-sulfanylideneimidazolidin-4-one is [C-]#[N+]c1ccc(N2C(=O)C(C)(C)N(c3cc(F)c(OC(C)C)c(F)c3)C2=S)cc1C.[C-]#[N+]c1ccc(N2C(=O)C(C)(C)N(c3ccc(OC(C)C)c(F)c3)C2=S)cc1C.[C-]#[N+]c1ccc(N2C(=O)C(C)(C)N(c3ccc(OC(C)C)c(F)c3)C2=S)cc1Cl.[C-]#[N+]c1ccc(N2C(=O)C(C)(C)N(c3ccc(OC(C)C)cc3)C2=S)cc1C.[C-]#[N+]c1ccc(N2C(=O)C(C)(C)N(c3ccc(OC(C)C)cc3)C2=S)cc1Cl.[C-]#[N+]c1ccc(N2C(=O)C(C)(C)N(c3ccc(OC(C)C)cc3)C2=S)cc1F.[C-]#[N+]c1ccc(N2C(=O)C(C)(C)N(c3ccc(OC(C)C)nc3)C2=S)cc1C.[C-]#[N+]c1ncc(N2C(=O)C(C)(C)N(c3ccc(OC(C)C)cc3)C2=S)cc1C.
What is the InChIKey of 3-(3-chloro-4-isocyanophenyl)-5,5-dimethyl-1-(4-propan-2-yloxyphenyl)-2-sulfanylideneimidazolidin-4-one;3-(3-chloro-4-isocyanophenyl)-1-(3-fluoro-4-propan-2-yloxyphenyl)-5,5-dimethyl-2-sulfanylideneimidazolidin-4-one;1-(3,5-difluoro-4-propan-2-yloxyphenyl)-3-(4-isocyano-3-methylphenyl)-5,5-dimethyl-2-sulfanylideneimidazolidin-4-one;3-(3-fluoro-4-isocyanophenyl)-5,5-dimethyl-1-(4-propan-2-yloxyphenyl)-2-sulfanylideneimidazolidin-4-one;1-(3-fluoro-4-propan-2-yloxyphenyl)-3-(4-isocyano-3-methylphenyl)-5,5-dimethyl-2-sulfanylideneimidazolidin-4-one;3-(4-isocyano-3-methylphenyl)-5,5-dimethyl-1-(4-propan-2-yloxyphenyl)-2-sulfanylideneimidazolidin-4-one;3-(4-isocyano-3-methylphenyl)-5,5-dimethyl-1-(6-propan-2-yloxy-3-pyridinyl)-2-sulfanylideneimidazolidin-4-one;3-(6-isocyano-5-methyl-3-pyridinyl)-5,5-dimethyl-1-(4-propan-2-yloxyphenyl)-2-sulfanylideneimidazolidin-4-one?
The InChIKey is YSCHDXMEEVYYFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21F2N3O2S.C22H22FN3O2S.C22H23N3O2S.C21H19ClFN3O2S.C21H20ClN3O2S.C21H20FN3O2S.2C21H22N4O2S/c1-12(2)29-19-16(23)10-15(11-17(19)24)27-21(30)26(20(28)22(27,4)5)14-7-8-18(25-6)13(3)9-14;1-13(2)28-19-10-8-16(12-17(19)23)26-21(29)25(20(27)22(26,4)5)15-7-9-18(24-6)14(3)11-15;1-14(2)27-18-10-7-16(8-11-18)25-21(28)24(20(26)22(25,4)5)17-9-12-19(23-6)15(3)13-17;1-12(2)28-18-9-7-14(11-16(18)23)26-20(29)25(19(27)21(26,3)4)13-6-8-17(24-5)15(22)10-13;2*1-13(2)27-16-9-6-14(7-10-16)25-20(28)24(19(26)21(25,3)4)15-8-11-18(23-5)17(22)12-15;1-13(2)27-18-10-8-16(12-23-18)25-20(28)24(19(26)21(25,4)5)15-7-9-17(22-6)14(3)11-15;1-13(2)27-17-9-7-15(8-10-17)25-20(28)24(19(26)21(25,4)5)16-11-14(3)18(22-6)23-12-16/h7-12H,1-5H3;7-13H,1-5H3;7-14H,1-5H3;6-12H,1-4H3;2*6-13H,1-4H3;2*7-13H,1-5H3.
What are the key properties of 3-(3-chloro-4-isocyanophenyl)-5,5-dimethyl-1-(4-propan-2-yloxyphenyl)-2-sulfanylideneimidazolidin-4-one;3-(3-chloro-4-isocyanophenyl)-1-(3-fluoro-4-propan-2-yloxyphenyl)-5,5-dimethyl-2-sulfanylideneimidazolidin-4-one;1-(3,5-difluoro-4-propan-2-yloxyphenyl)-3-(4-isocyano-3-methylphenyl)-5,5-dimethyl-2-sulfanylideneimidazolidin-4-one;3-(3-fluoro-4-isocyanophenyl)-5,5-dimethyl-1-(4-propan-2-yloxyphenyl)-2-sulfanylideneimidazolidin-4-one;1-(3-fluoro-4-propan-2-yloxyphenyl)-3-(4-isocyano-3-methylphenyl)-5,5-dimethyl-2-sulfanylideneimidazolidin-4-one;3-(4-isocyano-3-methylphenyl)-5,5-dimethyl-1-(4-propan-2-yloxyphenyl)-2-sulfanylideneimidazolidin-4-one;3-(4-isocyano-3-methylphenyl)-5,5-dimethyl-1-(6-propan-2-yloxy-3-pyridinyl)-2-sulfanylideneimidazolidin-4-one;3-(6-isocyano-5-methyl-3-pyridinyl)-5,5-dimethyl-1-(4-propan-2-yloxyphenyl)-2-sulfanylideneimidazolidin-4-one?
3-(3-chloro-4-isocyanophenyl)-5,5-dimethyl-1-(4-propan-2-yloxyphenyl)-2-sulfanylideneimidazolidin-4-one;3-(3-chloro-4-isocyanophenyl)-1-(3-fluoro-4-propan-2-yloxyphenyl)-5,5-dimethyl-2-sulfanylideneimidazolidin-4-one;1-(3,5-difluoro-4-propan-2-yloxyphenyl)-3-(4-isocyano-3-methylphenyl)-5,5-dimethyl-2-sulfanylideneimidazolidin-4-one;3-(3-fluoro-4-isocyanophenyl)-5,5-dimethyl-1-(4-propan-2-yloxyphenyl)-2-sulfanylideneimidazolidin-4-one;1-(3-fluoro-4-propan-2-yloxyphenyl)-3-(4-isocyano-3-methylphenyl)-5,5-dimethyl-2-sulfanylideneimidazolidin-4-one;3-(4-isocyano-3-methylphenyl)-5,5-dimethyl-1-(4-propan-2-yloxyphenyl)-2-sulfanylideneimidazolidin-4-one;3-(4-isocyano-3-methylphenyl)-5,5-dimethyl-1-(6-propan-2-yloxy-3-pyridinyl)-2-sulfanylideneimidazolidin-4-one;3-(6-isocyano-5-methyl-3-pyridinyl)-5,5-dimethyl-1-(4-propan-2-yloxyphenyl)-2-sulfanylideneimidazolidin-4-one has a molecular weight of 3266.83 g/mol, XLogP of 41.86, 32 rotatable bonds, 0 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-4-isocyanophenyl)-5,5-dimethyl-1-(4-propan-2-yloxyphenyl)-2-sulfanylideneimidazolidin-4-one;3-(3-chloro-4-isocyanophenyl)-1-(3-fluoro-4-propan-2-yloxyphenyl)-5,5-dimethyl-2-sulfanylideneimidazolidin-4-one;1-(3,5-difluoro-4-propan-2-yloxyphenyl)-3-(4-isocyano-3-methylphenyl)-5,5-dimethyl-2-sulfanylideneimidazolidin-4-one;3-(3-fluoro-4-isocyanophenyl)-5,5-dimethyl-1-(4-propan-2-yloxyphenyl)-2-sulfanylideneimidazolidin-4-one;1-(3-fluoro-4-propan-2-yloxyphenyl)-3-(4-isocyano-3-methylphenyl)-5,5-dimethyl-2-sulfanylideneimidazolidin-4-one;3-(4-isocyano-3-methylphenyl)-5,5-dimethyl-1-(4-propan-2-yloxyphenyl)-2-sulfanylideneimidazolidin-4-one;3-(4-isocyano-3-methylphenyl)-5,5-dimethyl-1-(6-propan-2-yloxy-3-pyridinyl)-2-sulfanylideneimidazolidin-4-one;3-(6-isocyano-5-methyl-3-pyridinyl)-5,5-dimethyl-1-(4-propan-2-yloxyphenyl)-2-sulfanylideneimidazolidin-4-one is sourced from PubChem (CID 162000177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).