(5R)-3-[5-(2-tert-butyl-4-isocyanophenoxy)-1,2,4-triazin-3-yl]-5-ethylimidazolidine-2,4-dione;3-[4-(2,3-dihydro-1-benzofuran-5-yloxy)-1,3,5-triazin-2-yl]-5,5-dimethylimidazolidine-2,4-dione;3-[4-(2,3-dihydro-1-benzofuran-6-yloxy)-1,3,5-triazin-2-yl]-5,5-dimethylimidazolidine-2,4-dione;3-[4-[[3,7-dimethyl-3-(trifluoromethyl)-2H-1-benzofuran-4-yl]oxy]-1,3,5-triazin-2-yl]-5-methylimidazolidine-2,4-dione;5,5-dimethyl-3-[4-[(3,3,7-trimethyl-2H-1-benzofuran-4-yl)oxy]-1,3,5-triazin-2-yl]imidazolidine-2,4-dione;(5R)-5-ethyl-3-[5-(2-phenylphenoxy)-1,2,4-triazin-3-yl]imidazolidine-2,4-dione;3-[4-fluoro-6-(3-methoxy-4-methylphenoxy)-1,3,5-triazin-2-yl]-5,5-dimethylimidazolidine-2,4-dione;3-[3-(3-methoxy-4-methylphenoxy)-1,2,4-triazin-5-yl]-5,5-dimethylimidazolidine-2,4-dione

C140H137F4N41O30 — CID 165024947

IUPAC(5R)-3-[5-(2-tert-butyl-4-isocyanophenoxy)-1,2,4-triazin-3-yl]-5-ethylimidazolidine-2,4-dione;3-[4-(2,3-dihydro-1-benzofuran-5-yloxy)-1,3,5-triazin-2-yl]-5,5-dimethylimidazolidine-2,4-dione;3-[4-(2,3-dihydro-1-benzofuran-6-yloxy)-1,3,5-triazin-2-yl]-5,5-dimethylimidazolidine-2,4-dione;3-[4-[[3,7-dimethyl-3-(trifluoromethyl)-2H-1-benzofuran-4-yl]oxy]-1,3,5-triazin-2-yl]-5-methylimidazolidine-2,4-dione;5,5-dimethyl-3-[4-[(3,3,7-trimethyl-2H-1-benzofuran-4-yl)oxy]-1,3,5-triazin-2-yl]imidazolidine-2,4-dione;(5R)-5-ethyl-3-[5-(2-phenylphenoxy)-1,2,4-triazin-3-yl]imidazolidine-2,4-dione;3-[4-fluoro-6-(3-methoxy-4-methylphenoxy)-1,3,5-triazin-2-yl]-5,5-dimethylimidazolidine-2,4-dione;3-[3-(3-methoxy-4-methylphenoxy)-1,2,4-triazin-5-yl]-5,5-dimethylimidazolidine-2,4-dione
SMILESCC1(C)NC(=O)N(c2ncnc(Oc3ccc4c(c3)CCO4)n2)C1=O.CC1(C)NC(=O)N(c2ncnc(Oc3ccc4c(c3)OCC4)n2)C1=O.CC[C@H]1NC(=O)N(c2nncc(Oc3ccccc3-c3ccccc3)n2)C1=O.COc1cc(Oc2nc(F)nc(N3C(=O)NC(C)(C)C3=O)n2)ccc1C.COc1cc(Oc2nncc(N3C(=O)NC(C)(C)C3=O)n2)ccc1C.Cc1ccc(Oc2ncnc(N3C(=O)NC(C)(C)C3=O)n2)c2c1OCC2(C)C.Cc1ccc(Oc2ncnc(N3C(=O)NC(C)C3=O)n2)c2c1OCC2(C)C(F)(F)F.[C-]#[N+]c1ccc(Oc2cnnc(N3C(=O)N[C@H](CC)C3=O)n2)c(C(C)(C)C)c1
InChIInChI=1S/C20H17N5O3.C19H20N6O3.C19H21N5O4.C18H16F3N5O4.C16H16FN5O4.2C16H15N5O4.C16H17N5O4/c1-2-15-18(26)25(20(27)22-15)19-23-17(12-21-24-19)28-16-11-7-6-10-14(16)13-8-4-3-5-9-13;1-6-13-16(26)25(18(27)22-13)17-23-15(10-21-24-17)28-14-8-7-11(20-5)9-12(14)19(2,3)4;1-10-6-7-11(12-13(10)27-8-18(12,2)3)28-16-21-9-20-15(22-16)24-14(25)19(4,5)23-17(24)26;1-8-4-5-10(11-12(8)29-6-17(11,3)18(19,20)21)30-15-23-7-22-14(25-15)26-13(27)9(2)24-16(26)28;1-8-5-6-9(7-10(8)25-4)26-14-19-12(17)18-13(20-14)22-11(23)16(2,3)21-15(22)24;1-16(2)12(22)21(15(23)20-16)13-17-8-18-14(19-13)25-10-3-4-11-9(7-10)5-6-24-11;1-16(2)12(22)21(15(23)20-16)13-17-8-18-14(19-13)25-10-4-3-9-5-6-24-11(9)7-10;1-9-5-6-10(7-11(9)24-4)25-14-18-12(8-17-20-14)21-13(22)16(2,3)19-15(21)23/h3-12,15H,2H2,1H3,(H,22,27);7-10,13H,6H2,1-4H3,(H,22,27);6-7,9H,8H2,1-5H3,(H,23,26);4-5,7,9H,6H2,1-3H3,(H,24,28);5-7H,1-4H3,(H,21,24);2*3-4,7-8H,5-6H2,1-2H3,(H,20,23);5-8H,1-4H3,(H,19,23)/t15-;13-;;;;;;/m11....../s1
InChIKeyLSQKYMLHACKLEV-GMVDXZDYSA-N
MW2949.88 g/mol
LogP18.26
Rot. Bonds29

About (5R)-3-[5-(2-tert-butyl-4-isocyanophenoxy)-1,2,4-triazin-3-yl]-5-ethylimidazolidine-2,4-dione;3-[4-(2,3-dihydro-1-benzofuran-5-yloxy)-1,3,5-triazin-2-yl]-5,5-dimethylimidazolidine-2,4-dione;3-[4-(2,3-dihydro-1-benzofuran-6-yloxy)-1,3,5-triazin-2-yl]-5,5-dimethylimidazolidine-2,4-dione;3-[4-[[3,7-dimethyl-3-(trifluoromethyl)-2H-1-benzofuran-4-yl]oxy]-1,3,5-triazin-2-yl]-5-methylimidazolidine-2,4-dione;5,5-dimethyl-3-[4-[(3,3,7-trimethyl-2H-1-benzofuran-4-yl)oxy]-1,3,5-triazin-2-yl]imidazolidine-2,4-dione;(5R)-5-ethyl-3-[5-(2-phenylphenoxy)-1,2,4-triazin-3-yl]imidazolidine-2,4-dione;3-[4-fluoro-6-(3-methoxy-4-methylphenoxy)-1,3,5-triazin-2-yl]-5,5-dimethylimidazolidine-2,4-dione;3-[3-(3-methoxy-4-methylphenoxy)-1,2,4-triazin-5-yl]-5,5-dimethylimidazolidine-2,4-dione

(5R)-3-[5-(2-tert-butyl-4-isocyanophenoxy)-1,2,4-triazin-3-yl]-5-ethylimidazolidine-2,4-dione;3-[4-(2,3-dihydro-1-benzofuran-5-yloxy)-1,3,5-triazin-2-yl]-5,5-dimethylimidazolidine-2,4-dione;3-[4-(2,3-dihydro-1-benzofuran-6-yloxy)-1,3,5-triazin-2-yl]-5,5-dimethylimidazolidine-2,4-dione;3-[4-[[3,7-dimethyl-3-(trifluoromethyl)-2H-1-benzofuran-4-yl]oxy]-1,3,5-triazin-2-yl]-5-methylimidazolidine-2,4-dione;5,5-dimethyl-3-[4-[(3,3,7-trimethyl-2H-1-benzofuran-4-yl)oxy]-1,3,5-triazin-2-yl]imidazolidine-2,4-dione;(5R)-5-ethyl-3-[5-(2-phenylphenoxy)-1,2,4-triazin-3-yl]imidazolidine-2,4-dione;3-[4-fluoro-6-(3-methoxy-4-methylphenoxy)-1,3,5-triazin-2-yl]-5,5-dimethylimidazolidine-2,4-dione;3-[3-(3-methoxy-4-methylphenoxy)-1,2,4-triazin-5-yl]-5,5-dimethylimidazolidine-2,4-dione (PubChem CID 165024947) has the molecular formula C140H137F4N41O30 and a molecular weight of 2949.88 g/mol. Its IUPAC name is (5R)-3-[5-(2-tert-butyl-4-isocyanophenoxy)-1,2,4-triazin-3-yl]-5-ethylimidazolidine-2,4-dione;3-[4-(2,3-dihydro-1-benzofuran-5-yloxy)-1,3,5-triazin-2-yl]-5,5-dimethylimidazolidine-2,4-dione;3-[4-(2,3-dihydro-1-benzofuran-6-yloxy)-1,3,5-triazin-2-yl]-5,5-dimethylimidazolidine-2,4-dione;3-[4-[[3,7-dimethyl-3-(trifluoromethyl)-2H-1-benzofuran-4-yl]oxy]-1,3,5-triazin-2-yl]-5-methylimidazolidine-2,4-dione;5,5-dimethyl-3-[4-[(3,3,7-trimethyl-2H-1-benzofuran-4-yl)oxy]-1,3,5-triazin-2-yl]imidazolidine-2,4-dione;(5R)-5-ethyl-3-[5-(2-phenylphenoxy)-1,2,4-triazin-3-yl]imidazolidine-2,4-dione;3-[4-fluoro-6-(3-methoxy-4-methylphenoxy)-1,3,5-triazin-2-yl]-5,5-dimethylimidazolidine-2,4-dione;3-[3-(3-methoxy-4-methylphenoxy)-1,2,4-triazin-5-yl]-5,5-dimethylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-3-[5-(2-tert-butyl-4-isocyanophenoxy)-1,2,4-triazin-3-yl]-5-ethylimidazolidine-2,4-dione;3-[4-(2,3-dihydro-1-benzofuran-5-yloxy)-1,3,5-triazin-2-yl]-5,5-dimethylimidazolidine-2,4-dione;3-[4-(2,3-dihydro-1-benzofuran-6-yloxy)-1,3,5-triazin-2-yl]-5,5-dimethylimidazolidine-2,4-dione;3-[4-[[3,7-dimethyl-3-(trifluoromethyl)-2H-1-benzofuran-4-yl]oxy]-1,3,5-triazin-2-yl]-5-methylimidazolidine-2,4-dione;5,5-dimethyl-3-[4-[(3,3,7-trimethyl-2H-1-benzofuran-4-yl)oxy]-1,3,5-triazin-2-yl]imidazolidine-2,4-dione;(5R)-5-ethyl-3-[5-(2-phenylphenoxy)-1,2,4-triazin-3-yl]imidazolidine-2,4-dione;3-[4-fluoro-6-(3-methoxy-4-methylphenoxy)-1,3,5-triazin-2-yl]-5,5-dimethylimidazolidine-2,4-dione;3-[3-(3-methoxy-4-methylphenoxy)-1,2,4-triazin-5-yl]-5,5-dimethylimidazolidine-2,4-dione
PubChem CID165024947
Molecular FormulaC140H137F4N41O30
Molecular Weight2949.88 g/mol
Exact Mass2948.04
IUPAC Name(5R)-3-[5-(2-tert-butyl-4-isocyanophenoxy)-1,2,4-triazin-3-yl]-5-ethylimidazolidine-2,4-dione;3-[4-(2,3-dihydro-1-benzofuran-5-yloxy)-1,3,5-triazin-2-yl]-5,5-dimethylimidazolidine-2,4-dione;3-[4-(2,3-dihydro-1-benzofuran-6-yloxy)-1,3,5-triazin-2-yl]-5,5-dimethylimidazolidine-2,4-dione;3-[4-[[3,7-dimethyl-3-(trifluoromethyl)-2H-1-benzofuran-4-yl]oxy]-1,3,5-triazin-2-yl]-5-methylimidazolidine-2,4-dione;5,5-dimethyl-3-[4-[(3,3,7-trimethyl-2H-1-benzofuran-4-yl)oxy]-1,3,5-triazin-2-yl]imidazolidine-2,4-dione;(5R)-5-ethyl-3-[5-(2-phenylphenoxy)-1,2,4-triazin-3-yl]imidazolidine-2,4-dione;3-[4-fluoro-6-(3-methoxy-4-methylphenoxy)-1,3,5-triazin-2-yl]-5,5-dimethylimidazolidine-2,4-dione;3-[3-(3-methoxy-4-methylphenoxy)-1,2,4-triazin-5-yl]-5,5-dimethylimidazolidine-2,4-dione
SMILESCC1(C)NC(=O)N(c2ncnc(Oc3ccc4c(c3)CCO4)n2)C1=O.CC1(C)NC(=O)N(c2ncnc(Oc3ccc4c(c3)OCC4)n2)C1=O.CC[C@H]1NC(=O)N(c2nncc(Oc3ccccc3-c3ccccc3)n2)C1=O.COc1cc(Oc2nc(F)nc(N3C(=O)NC(C)(C)C3=O)n2)ccc1C.COc1cc(Oc2nncc(N3C(=O)NC(C)(C)C3=O)n2)ccc1C.Cc1ccc(Oc2ncnc(N3C(=O)NC(C)(C)C3=O)n2)c2c1OCC2(C)C.Cc1ccc(Oc2ncnc(N3C(=O)NC(C)C3=O)n2)c2c1OCC2(C)C(F)(F)F.[C-]#[N+]c1ccc(Oc2cnnc(N3C(=O)N[C@H](CC)C3=O)n2)c(C(C)(C)C)c1
InChIInChI=1S/C20H17N5O3.C19H20N6O3.C19H21N5O4.C18H16F3N5O4.C16H16FN5O4.2C16H15N5O4.C16H17N5O4/c1-2-15-18(26)25(20(27)22-15)19-23-17(12-21-24-19)28-16-11-7-6-10-14(16)13-8-4-3-5-9-13;1-6-13-16(26)25(18(27)22-13)17-23-15(10-21-24-17)28-14-8-7-11(20-5)9-12(14)19(2,3)4;1-10-6-7-11(12-13(10)27-8-18(12,2)3)28-16-21-9-20-15(22-16)24-14(25)19(4,5)23-17(24)26;1-8-4-5-10(11-12(8)29-6-17(11,3)18(19,20)21)30-15-23-7-22-14(25-15)26-13(27)9(2)24-16(26)28;1-8-5-6-9(7-10(8)25-4)26-14-19-12(17)18-13(20-14)22-11(23)16(2,3)21-15(22)24;1-16(2)12(22)21(15(23)20-16)13-17-8-18-14(19-13)25-10-3-4-11-9(7-10)5-6-24-11;1-16(2)12(22)21(15(23)20-16)13-17-8-18-14(19-13)25-10-4-3-9-5-6-24-11(9)7-10;1-9-5-6-10(7-11(9)24-4)25-14-18-12(8-17-20-14)21-13(22)16(2,3)19-15(21)23/h3-12,15H,2H2,1H3,(H,22,27);7-10,13H,6H2,1-4H3,(H,22,27);6-7,9H,8H2,1-5H3,(H,23,26);4-5,7,9H,6H2,1-3H3,(H,24,28);5-7H,1-4H3,(H,21,24);2*3-4,7-8H,5-6H2,1-2H3,(H,20,23);5-8H,1-4H3,(H,19,23)/t15-;13-;;;;;;/m11....../s1
InChIKeyLSQKYMLHACKLEV-GMVDXZDYSA-N
XLogP18.26
TPSA838.22 Ų
H-Bond Donors8
H-Bond Acceptors54
Rotatable Bonds29
Heavy Atoms215
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002949.88
LogP ≤ 518.26
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1054

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}

Analyze (5R)-3-[5-(2-tert-butyl-4-isocyanophenoxy)-1,2,4-triazin-3-yl]-5-ethylimidazolidine-2,4-dione;3-[4-(2,3-dihydro-1-benzofuran-5-yloxy)-1,3,5-triazin-2-yl]-5,5-dimethylimidazolidine-2,4-dione;3-[4-(2,3-dihydro-1-benzofuran-6-yloxy)-1,3,5-triazin-2-yl]-5,5-dimethylimidazolidine-2,4-dione;3-[4-[[3,7-dimethyl-3-(trifluoromethyl)-2H-1-benzofuran-4-yl]oxy]-1,3,5-triazin-2-yl]-5-methylimidazolidine-2,4-dione;5,5-dimethyl-3-[4-[(3,3,7-trimethyl-2H-1-benzofuran-4-yl)oxy]-1,3,5-triazin-2-yl]imidazolidine-2,4-dione;(5R)-5-ethyl-3-[5-(2-phenylphenoxy)-1,2,4-triazin-3-yl]imidazolidine-2,4-dione;3-[4-fluoro-6-(3-methoxy-4-methylphenoxy)-1,3,5-triazin-2-yl]-5,5-dimethylimidazolidine-2,4-dione;3-[3-(3-methoxy-4-methylphenoxy)-1,2,4-triazin-5-yl]-5,5-dimethylimidazolidine-2,4-dione with MolForge

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Related Compounds

(5R)-3-[4-(2-tert-butyl-4-isocyanophenoxy)pyrimidin-2-yl]-5-ethylimidazolidine-2,4-dione;3-[6-(2,3-dihydro-1-benzofuran-5-yloxy)pyrimidin-4-yl]-5,5-dimethylimidazolidine-2,4-dione;3-[6-(2,3-dihydro-1-benzofuran-6-yloxy)pyrimidin-4-yl]-5,5-dimethylimidazolidine-2,4-dione;3-[6-[[3,7-dimethyl-3-(trifluoromethyl)-2H-1-benzofuran-4-yl]oxy]pyrimidin-4-yl]-5,5-dimethylimidazolidine-2,4-dione;5,5-dimethyl-3-[6-[(3,3,7-trimethyl-2H-1-benzofuran-4-yl)oxy]pyrimidin-4-yl]imidazolidine-2,4-dione;(5R)-5-ethyl-3-[4-(2-phenylphenoxy)pyrimidin-2-yl]imidazolidine-2,4-dione;3-[6-(3-methoxy-4-methylphenoxy)pyrimidin-4-yl]-5,5-dimethylimidazolidine-2,4-dione;3-[6-[(5-methoxy-3-pyridinyl)oxy]pyrimidin-4-yl]-5,5-dimethylimidazolidine-2,4-dione
CID 164962161
(5R)-3-[5-(2-tert-butyl-4-isocyanophenoxy)-6-methyl-1,2,4-triazin-3-yl]-5-ethylimidazolidine-2,4-dione;3-[3-(2,3-dihydro-1-benzofuran-5-yloxy)-6-(trifluoromethyl)-1,2,4-triazin-5-yl]-5,5-dimethylimidazolidine-2,4-dione;(5R)-5-ethyl-3-[6-fluoro-5-(3-methoxy-4-methylphenoxy)-1,2,4-triazin-3-yl]imidazolidine-2,4-dione;(5R)-5-ethyl-3-[6-fluoro-5-(2-phenylphenoxy)-1,2,4-triazin-3-yl]imidazolidine-2,4-dione;3-[6-fluoro-3-[(3,3,7-trimethyl-2H-1-benzofuran-4-yl)oxy]-1,2,4-triazin-5-yl]-5,5-dimethylimidazolidine-2,4-dione;3-[4-(3-isocyano-4-methylphenoxy)-6-(trifluoromethyl)-1,3,5-triazin-2-yl]-5,5-dimethylimidazolidine-2,4-dione
CID 165004116
(5R)-3-[4-(2-tert-butyl-4-isocyanophenoxy)-6-fluoropyrimidin-2-yl]-5-ethylimidazolidine-2,4-dione;(5R)-5-ethyl-3-[5-fluoro-4-(3-methoxy-4-methylphenoxy)pyrimidin-2-yl]imidazolidine-2,4-dione;(5R)-5-ethyl-3-[4-(2-phenylphenoxy)-6-(trifluoromethyl)pyrimidin-2-yl]imidazolidine-2,4-dione;3-[2-fluoro-6-(4-methoxy-3,5-dimethylphenoxy)pyrimidin-4-yl]-5,5-dimethylimidazolidine-2,4-dione;3-[5-fluoro-6-(3-methoxy-4-methylphenoxy)pyrimidin-4-yl]-5,5-dimethylimidazolidine-2,4-dione;3-[5-fluoro-6-[(3,3,7-trimethyl-2H-1-benzofuran-4-yl)oxy]pyrimidin-4-yl]-5,5-dimethylimidazolidine-2,4-dione;3-[6-(3-isocyano-4-methylphenoxy)-2-(trifluoromethyl)pyrimidin-4-yl]-5,5-dimethylimidazolidine-2,4-dione
CID 165093490
3-[4-[3-(cyclopropylmethoxy)-4-methylphenoxy]-1,3,5-triazin-2-yl]-5,5-dimethylimidazolidine-2,4-dione;(5R)-5-ethyl-3-[5-(3-methoxy-4-methylphenoxy)-1,2,4-triazin-3-yl]imidazolidine-2,4-dione;3-[4-(4-fluoro-3-methoxyphenoxy)-1,3,5-triazin-2-yl]-5,5-dimethylimidazolidine-2,4-dione;3-[4-(3-isocyano-4-methylphenoxy)-1,3,5-triazin-2-yl]-5,5-dimethylimidazolidine-2,4-dione;3-[4-(4-methoxy-3,5-dimethylphenoxy)-1,3,5-triazin-2-yl]-5,5-dimethylimidazolidine-2,4-dione;7-[4-(3-methoxy-4-methylphenoxy)-1,3,5-triazin-2-yl]-5,7-diazaspiro[3.4]octane-6,8-dione;3-[4-(3-methoxy-4-methylphenoxy)-1,3,5-triazin-2-yl]-5,5-dimethylimidazolidine-2,4-dione;3-[4-(3-methoxyphenoxy)-1,3,5-triazin-2-yl]-5,5-dimethylimidazolidine-2,4-dione
CID 164958120

Frequently Asked Questions

What is the IUPAC name of (5R)-3-[5-(2-tert-butyl-4-isocyanophenoxy)-1,2,4-triazin-3-yl]-5-ethylimidazolidine-2,4-dione;3-[4-(2,3-dihydro-1-benzofuran-5-yloxy)-1,3,5-triazin-2-yl]-5,5-dimethylimidazolidine-2,4-dione;3-[4-(2,3-dihydro-1-benzofuran-6-yloxy)-1,3,5-triazin-2-yl]-5,5-dimethylimidazolidine-2,4-dione;3-[4-[[3,7-dimethyl-3-(trifluoromethyl)-2H-1-benzofuran-4-yl]oxy]-1,3,5-triazin-2-yl]-5-methylimidazolidine-2,4-dione;5,5-dimethyl-3-[4-[(3,3,7-trimethyl-2H-1-benzofuran-4-yl)oxy]-1,3,5-triazin-2-yl]imidazolidine-2,4-dione;(5R)-5-ethyl-3-[5-(2-phenylphenoxy)-1,2,4-triazin-3-yl]imidazolidine-2,4-dione;3-[4-fluoro-6-(3-methoxy-4-methylphenoxy)-1,3,5-triazin-2-yl]-5,5-dimethylimidazolidine-2,4-dione;3-[3-(3-methoxy-4-methylphenoxy)-1,2,4-triazin-5-yl]-5,5-dimethylimidazolidine-2,4-dione?
The IUPAC name of (5R)-3-[5-(2-tert-butyl-4-isocyanophenoxy)-1,2,4-triazin-3-yl]-5-ethylimidazolidine-2,4-dione;3-[4-(2,3-dihydro-1-benzofuran-5-yloxy)-1,3,5-triazin-2-yl]-5,5-dimethylimidazolidine-2,4-dione;3-[4-(2,3-dihydro-1-benzofuran-6-yloxy)-1,3,5-triazin-2-yl]-5,5-dimethylimidazolidine-2,4-dione;3-[4-[[3,7-dimethyl-3-(trifluoromethyl)-2H-1-benzofuran-4-yl]oxy]-1,3,5-triazin-2-yl]-5-methylimidazolidine-2,4-dione;5,5-dimethyl-3-[4-[(3,3,7-trimethyl-2H-1-benzofuran-4-yl)oxy]-1,3,5-triazin-2-yl]imidazolidine-2,4-dione;(5R)-5-ethyl-3-[5-(2-phenylphenoxy)-1,2,4-triazin-3-yl]imidazolidine-2,4-dione;3-[4-fluoro-6-(3-methoxy-4-methylphenoxy)-1,3,5-triazin-2-yl]-5,5-dimethylimidazolidine-2,4-dione;3-[3-(3-methoxy-4-methylphenoxy)-1,2,4-triazin-5-yl]-5,5-dimethylimidazolidine-2,4-dione (CID 165024947) is (5R)-3-[5-(2-tert-butyl-4-isocyanophenoxy)-1,2,4-triazin-3-yl]-5-ethylimidazolidine-2,4-dione;3-[4-(2,3-dihydro-1-benzofuran-5-yloxy)-1,3,5-triazin-2-yl]-5,5-dimethylimidazolidine-2,4-dione;3-[4-(2,3-dihydro-1-benzofuran-6-yloxy)-1,3,5-triazin-2-yl]-5,5-dimethylimidazolidine-2,4-dione;3-[4-[[3,7-dimethyl-3-(trifluoromethyl)-2H-1-benzofuran-4-yl]oxy]-1,3,5-triazin-2-yl]-5-methylimidazolidine-2,4-dione;5,5-dimethyl-3-[4-[(3,3,7-trimethyl-2H-1-benzofuran-4-yl)oxy]-1,3,5-triazin-2-yl]imidazolidine-2,4-dione;(5R)-5-ethyl-3-[5-(2-phenylphenoxy)-1,2,4-triazin-3-yl]imidazolidine-2,4-dione;3-[4-fluoro-6-(3-methoxy-4-methylphenoxy)-1,3,5-triazin-2-yl]-5,5-dimethylimidazolidine-2,4-dione;3-[3-(3-methoxy-4-methylphenoxy)-1,2,4-triazin-5-yl]-5,5-dimethylimidazolidine-2,4-dione.
What is the SMILES notation for (5R)-3-[5-(2-tert-butyl-4-isocyanophenoxy)-1,2,4-triazin-3-yl]-5-ethylimidazolidine-2,4-dione;3-[4-(2,3-dihydro-1-benzofuran-5-yloxy)-1,3,5-triazin-2-yl]-5,5-dimethylimidazolidine-2,4-dione;3-[4-(2,3-dihydro-1-benzofuran-6-yloxy)-1,3,5-triazin-2-yl]-5,5-dimethylimidazolidine-2,4-dione;3-[4-[[3,7-dimethyl-3-(trifluoromethyl)-2H-1-benzofuran-4-yl]oxy]-1,3,5-triazin-2-yl]-5-methylimidazolidine-2,4-dione;5,5-dimethyl-3-[4-[(3,3,7-trimethyl-2H-1-benzofuran-4-yl)oxy]-1,3,5-triazin-2-yl]imidazolidine-2,4-dione;(5R)-5-ethyl-3-[5-(2-phenylphenoxy)-1,2,4-triazin-3-yl]imidazolidine-2,4-dione;3-[4-fluoro-6-(3-methoxy-4-methylphenoxy)-1,3,5-triazin-2-yl]-5,5-dimethylimidazolidine-2,4-dione;3-[3-(3-methoxy-4-methylphenoxy)-1,2,4-triazin-5-yl]-5,5-dimethylimidazolidine-2,4-dione?
The canonical SMILES for (5R)-3-[5-(2-tert-butyl-4-isocyanophenoxy)-1,2,4-triazin-3-yl]-5-ethylimidazolidine-2,4-dione;3-[4-(2,3-dihydro-1-benzofuran-5-yloxy)-1,3,5-triazin-2-yl]-5,5-dimethylimidazolidine-2,4-dione;3-[4-(2,3-dihydro-1-benzofuran-6-yloxy)-1,3,5-triazin-2-yl]-5,5-dimethylimidazolidine-2,4-dione;3-[4-[[3,7-dimethyl-3-(trifluoromethyl)-2H-1-benzofuran-4-yl]oxy]-1,3,5-triazin-2-yl]-5-methylimidazolidine-2,4-dione;5,5-dimethyl-3-[4-[(3,3,7-trimethyl-2H-1-benzofuran-4-yl)oxy]-1,3,5-triazin-2-yl]imidazolidine-2,4-dione;(5R)-5-ethyl-3-[5-(2-phenylphenoxy)-1,2,4-triazin-3-yl]imidazolidine-2,4-dione;3-[4-fluoro-6-(3-methoxy-4-methylphenoxy)-1,3,5-triazin-2-yl]-5,5-dimethylimidazolidine-2,4-dione;3-[3-(3-methoxy-4-methylphenoxy)-1,2,4-triazin-5-yl]-5,5-dimethylimidazolidine-2,4-dione is CC1(C)NC(=O)N(c2ncnc(Oc3ccc4c(c3)CCO4)n2)C1=O.CC1(C)NC(=O)N(c2ncnc(Oc3ccc4c(c3)OCC4)n2)C1=O.CC[C@H]1NC(=O)N(c2nncc(Oc3ccccc3-c3ccccc3)n2)C1=O.COc1cc(Oc2nc(F)nc(N3C(=O)NC(C)(C)C3=O)n2)ccc1C.COc1cc(Oc2nncc(N3C(=O)NC(C)(C)C3=O)n2)ccc1C.Cc1ccc(Oc2ncnc(N3C(=O)NC(C)(C)C3=O)n2)c2c1OCC2(C)C.Cc1ccc(Oc2ncnc(N3C(=O)NC(C)C3=O)n2)c2c1OCC2(C)C(F)(F)F.[C-]#[N+]c1ccc(Oc2cnnc(N3C(=O)N[C@H](CC)C3=O)n2)c(C(C)(C)C)c1.
What is the InChIKey of (5R)-3-[5-(2-tert-butyl-4-isocyanophenoxy)-1,2,4-triazin-3-yl]-5-ethylimidazolidine-2,4-dione;3-[4-(2,3-dihydro-1-benzofuran-5-yloxy)-1,3,5-triazin-2-yl]-5,5-dimethylimidazolidine-2,4-dione;3-[4-(2,3-dihydro-1-benzofuran-6-yloxy)-1,3,5-triazin-2-yl]-5,5-dimethylimidazolidine-2,4-dione;3-[4-[[3,7-dimethyl-3-(trifluoromethyl)-2H-1-benzofuran-4-yl]oxy]-1,3,5-triazin-2-yl]-5-methylimidazolidine-2,4-dione;5,5-dimethyl-3-[4-[(3,3,7-trimethyl-2H-1-benzofuran-4-yl)oxy]-1,3,5-triazin-2-yl]imidazolidine-2,4-dione;(5R)-5-ethyl-3-[5-(2-phenylphenoxy)-1,2,4-triazin-3-yl]imidazolidine-2,4-dione;3-[4-fluoro-6-(3-methoxy-4-methylphenoxy)-1,3,5-triazin-2-yl]-5,5-dimethylimidazolidine-2,4-dione;3-[3-(3-methoxy-4-methylphenoxy)-1,2,4-triazin-5-yl]-5,5-dimethylimidazolidine-2,4-dione?
The InChIKey is LSQKYMLHACKLEV-GMVDXZDYSA-N. The full InChI is InChI=1S/C20H17N5O3.C19H20N6O3.C19H21N5O4.C18H16F3N5O4.C16H16FN5O4.2C16H15N5O4.C16H17N5O4/c1-2-15-18(26)25(20(27)22-15)19-23-17(12-21-24-19)28-16-11-7-6-10-14(16)13-8-4-3-5-9-13;1-6-13-16(26)25(18(27)22-13)17-23-15(10-21-24-17)28-14-8-7-11(20-5)9-12(14)19(2,3)4;1-10-6-7-11(12-13(10)27-8-18(12,2)3)28-16-21-9-20-15(22-16)24-14(25)19(4,5)23-17(24)26;1-8-4-5-10(11-12(8)29-6-17(11,3)18(19,20)21)30-15-23-7-22-14(25-15)26-13(27)9(2)24-16(26)28;1-8-5-6-9(7-10(8)25-4)26-14-19-12(17)18-13(20-14)22-11(23)16(2,3)21-15(22)24;1-16(2)12(22)21(15(23)20-16)13-17-8-18-14(19-13)25-10-3-4-11-9(7-10)5-6-24-11;1-16(2)12(22)21(15(23)20-16)13-17-8-18-14(19-13)25-10-4-3-9-5-6-24-11(9)7-10;1-9-5-6-10(7-11(9)24-4)25-14-18-12(8-17-20-14)21-13(22)16(2,3)19-15(21)23/h3-12,15H,2H2,1H3,(H,22,27);7-10,13H,6H2,1-4H3,(H,22,27);6-7,9H,8H2,1-5H3,(H,23,26);4-5,7,9H,6H2,1-3H3,(H,24,28);5-7H,1-4H3,(H,21,24);2*3-4,7-8H,5-6H2,1-2H3,(H,20,23);5-8H,1-4H3,(H,19,23)/t15-;13-;;;;;;/m11....../s1.
What are the key properties of (5R)-3-[5-(2-tert-butyl-4-isocyanophenoxy)-1,2,4-triazin-3-yl]-5-ethylimidazolidine-2,4-dione;3-[4-(2,3-dihydro-1-benzofuran-5-yloxy)-1,3,5-triazin-2-yl]-5,5-dimethylimidazolidine-2,4-dione;3-[4-(2,3-dihydro-1-benzofuran-6-yloxy)-1,3,5-triazin-2-yl]-5,5-dimethylimidazolidine-2,4-dione;3-[4-[[3,7-dimethyl-3-(trifluoromethyl)-2H-1-benzofuran-4-yl]oxy]-1,3,5-triazin-2-yl]-5-methylimidazolidine-2,4-dione;5,5-dimethyl-3-[4-[(3,3,7-trimethyl-2H-1-benzofuran-4-yl)oxy]-1,3,5-triazin-2-yl]imidazolidine-2,4-dione;(5R)-5-ethyl-3-[5-(2-phenylphenoxy)-1,2,4-triazin-3-yl]imidazolidine-2,4-dione;3-[4-fluoro-6-(3-methoxy-4-methylphenoxy)-1,3,5-triazin-2-yl]-5,5-dimethylimidazolidine-2,4-dione;3-[3-(3-methoxy-4-methylphenoxy)-1,2,4-triazin-5-yl]-5,5-dimethylimidazolidine-2,4-dione?
(5R)-3-[5-(2-tert-butyl-4-isocyanophenoxy)-1,2,4-triazin-3-yl]-5-ethylimidazolidine-2,4-dione;3-[4-(2,3-dihydro-1-benzofuran-5-yloxy)-1,3,5-triazin-2-yl]-5,5-dimethylimidazolidine-2,4-dione;3-[4-(2,3-dihydro-1-benzofuran-6-yloxy)-1,3,5-triazin-2-yl]-5,5-dimethylimidazolidine-2,4-dione;3-[4-[[3,7-dimethyl-3-(trifluoromethyl)-2H-1-benzofuran-4-yl]oxy]-1,3,5-triazin-2-yl]-5-methylimidazolidine-2,4-dione;5,5-dimethyl-3-[4-[(3,3,7-trimethyl-2H-1-benzofuran-4-yl)oxy]-1,3,5-triazin-2-yl]imidazolidine-2,4-dione;(5R)-5-ethyl-3-[5-(2-phenylphenoxy)-1,2,4-triazin-3-yl]imidazolidine-2,4-dione;3-[4-fluoro-6-(3-methoxy-4-methylphenoxy)-1,3,5-triazin-2-yl]-5,5-dimethylimidazolidine-2,4-dione;3-[3-(3-methoxy-4-methylphenoxy)-1,2,4-triazin-5-yl]-5,5-dimethylimidazolidine-2,4-dione has a molecular weight of 2949.88 g/mol, XLogP of 18.26, 29 rotatable bonds, 8 hydrogen bond donors, and 54 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-[5-(2-tert-butyl-4-isocyanophenoxy)-1,2,4-triazin-3-yl]-5-ethylimidazolidine-2,4-dione;3-[4-(2,3-dihydro-1-benzofuran-5-yloxy)-1,3,5-triazin-2-yl]-5,5-dimethylimidazolidine-2,4-dione;3-[4-(2,3-dihydro-1-benzofuran-6-yloxy)-1,3,5-triazin-2-yl]-5,5-dimethylimidazolidine-2,4-dione;3-[4-[[3,7-dimethyl-3-(trifluoromethyl)-2H-1-benzofuran-4-yl]oxy]-1,3,5-triazin-2-yl]-5-methylimidazolidine-2,4-dione;5,5-dimethyl-3-[4-[(3,3,7-trimethyl-2H-1-benzofuran-4-yl)oxy]-1,3,5-triazin-2-yl]imidazolidine-2,4-dione;(5R)-5-ethyl-3-[5-(2-phenylphenoxy)-1,2,4-triazin-3-yl]imidazolidine-2,4-dione;3-[4-fluoro-6-(3-methoxy-4-methylphenoxy)-1,3,5-triazin-2-yl]-5,5-dimethylimidazolidine-2,4-dione;3-[3-(3-methoxy-4-methylphenoxy)-1,2,4-triazin-5-yl]-5,5-dimethylimidazolidine-2,4-dione is sourced from PubChem (CID 165024947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).