(5Z)-5-[[2-fluoro-4-methoxy-3-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)phenyl]methylidene]-2-sulfanylideneimidazolidin-4-one;(5Z)-5-[[2-hydroxy-4-methoxy-5-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)phenyl]methylidene]-2-sulfanylideneimidazolidin-4-one;(5Z)-5-[[4-methoxy-3-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)phenyl]methylidene]-2-sulfanylideneimidazolidin-4-one;(5Z)-5-[[5-methoxy-6-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]methylidene]-2-sulfanylideneimidazolidin-4-one;(5Z)-5-[[6-methoxy-5-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-3-pyridinyl]methylidene]-2-sulfanylideneimidazolidin-4-one

C128H147FN12O11S5 — CID 159727546

About (5Z)-5-[[2-fluoro-4-methoxy-3-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)phenyl]methylidene]-2-sulfanylideneimidazolidin-4-one;(5Z)-5-[[2-hydroxy-4-methoxy-5-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)phenyl]methylidene]-2-sulfanylideneimidazolidin-4-one;(5Z)-5-[[4-methoxy-3-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)phenyl]methylidene]-2-sulfanylideneimidazolidin-4-one;(5Z)-5-[[5-methoxy-6-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]methylidene]-2-sulfanylideneimidazolidin-4-one;(5Z)-5-[[6-methoxy-5-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-3-pyridinyl]methylidene]-2-sulfanylideneimidazolidin-4-one

(5Z)-5-[[2-fluoro-4-methoxy-3-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)phenyl]methylidene]-2-sulfanylideneimidazolidin-4-one;(5Z)-5-[[2-hydroxy-4-methoxy-5-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)phenyl]methylidene]-2-sulfanylideneimidazolidin-4-one;(5Z)-5-[[4-methoxy-3-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)phenyl]methylidene]-2-sulfanylideneimidazolidin-4-one;(5Z)-5-[[5-methoxy-6-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]methylidene]-2-sulfanylideneimidazolidin-4-one;(5Z)-5-[[6-methoxy-5-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-3-pyridinyl]methylidene]-2-sulfanylideneimidazolidin-4-one (PubChem CID 159727546) has the molecular formula C128H147FN12O11S5 and a molecular weight of 2208.99 g/mol. Its IUPAC name is (5Z)-5-[[2-fluoro-4-methoxy-3-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)phenyl]methylidene]-2-sulfanylideneimidazolidin-4-one;(5Z)-5-[[2-hydroxy-4-methoxy-5-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)phenyl]methylidene]-2-sulfanylideneimidazolidin-4-one;(5Z)-5-[[4-methoxy-3-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)phenyl]methylidene]-2-sulfanylideneimidazolidin-4-one;(5Z)-5-[[5-methoxy-6-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]methylidene]-2-sulfanylideneimidazolidin-4-one;(5Z)-5-[[6-methoxy-5-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-3-pyridinyl]methylidene]-2-sulfanylideneimidazolidin-4-one.

Molecular Properties

• Compound Name: (5Z)-5-[[2-fluoro-4-methoxy-3-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)phenyl]methylidene]-2-sulfanylideneimidazolidin-4-one;(5Z)-5-[[2-hydroxy-4-methoxy-5-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)phenyl]methylidene]-2-sulfanylideneimidazolidin-4-one;(5Z)-5-[[4-methoxy-3-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)phenyl]methylidene]-2-sulfanylideneimidazolidin-4-one;(5Z)-5-[[5-methoxy-6-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]methylidene]-2-sulfanylideneimidazolidin-4-one;(5Z)-5-[[6-methoxy-5-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-3-pyridinyl]methylidene]-2-sulfanylideneimidazolidin-4-one
• PubChem CID: 159727546
• Molecular Formula: C128H147FN12O11S5
• Molecular Weight: 2208.99 g/mol
• Exact Mass: 2206.99
• IUPAC Name: (5Z)-5-[[2-fluoro-4-methoxy-3-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)phenyl]methylidene]-2-sulfanylideneimidazolidin-4-one;(5Z)-5-[[2-hydroxy-4-methoxy-5-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)phenyl]methylidene]-2-sulfanylideneimidazolidin-4-one;(5Z)-5-[[4-methoxy-3-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)phenyl]methylidene]-2-sulfanylideneimidazolidin-4-one;(5Z)-5-[[5-methoxy-6-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]methylidene]-2-sulfanylideneimidazolidin-4-one;(5Z)-5-[[6-methoxy-5-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-3-pyridinyl]methylidene]-2-sulfanylideneimidazolidin-4-one
• SMILES: COc1cc(O)c(/C=C2\NC(=S)NC2=O)cc1-c1cc2c(cc1C)C(C)(C)CCC2(C)C.COc1ccc(/C=C2\NC(=S)NC2=O)c(F)c1-c1cc2c(cc1C)C(C)(C)CCC2(C)C.COc1ccc(/C=C2\NC(=S)NC2=O)cc1-c1cc2c(cc1C)C(C)(C)CCC2(C)C.COc1ccc(/C=C2\NC(=S)NC2=O)nc1-c1cc2c(cc1C)C(C)(C)CCC2(C)C.COc1ncc(/C=C2\NC(=S)NC2=O)cc1-c1cc2c(cc1C)C(C)(C)CCC2(C)C
• InChI: InChI=1S/C26H29FN2O2S.C26H30N2O3S.C26H30N2O2S.2C25H29N3O2S/c1-14-11-17-18(26(4,5)10-9-25(17,2)3)13-16(14)21-20(31-6)8-7-15(22(21)27)12-19-23(30)29-24(32)28-19;1-14-9-18-19(26(4,5)8-7-25(18,2)3)12-16(14)17-10-15(21(29)13-22(17)31-6)11-20-23(30)28-24(32)27-20;1-15-11-19-20(26(4,5)10-9-25(19,2)3)14-17(15)18-12-16(7-8-22(18)30-6)13-21-23(29)28-24(31)27-21;1-14-9-18-19(25(4,5)8-7-24(18,2)3)12-16(14)17-10-15(13-26-22(17)30-6)11-20-21(29)28-23(31)27-20;1-14-11-17-18(25(4,5)10-9-24(17,2)3)13-16(14)21-20(30-6)8-7-15(26-21)12-19-22(29)28-23(31)27-19/h7-8,11-13H,9-10H2,1-6H3,(H2,28,29,30,32);9-13,29H,7-8H2,1-6H3,(H2,27,28,30,32);7-8,11-14H,9-10H2,1-6H3,(H2,27,28,29,31);9-13H,7-8H2,1-6H3,(H2,27,28,29,31);7-8,11-13H,9-10H2,1-6H3,(H2,27,28,29,31)/b19-12-;20-11-;21-13-;20-11-;19-12-
• InChIKey: NAVBVYZPGMLVMW-JCPKMSKYSA-N
• XLogP: 25.46
• TPSA: 297.81 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 18
• Rotatable Bonds: 15
• Heavy Atoms: 157
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2208.99
LogP ≤ 5	25.46
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[[2-fluoro-4-methoxy-3-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)phenyl]methylidene]-2-sulfanylideneimidazolidin-4-one;(5Z)-5-[[2-hydroxy-4-methoxy-5-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)phenyl]methylidene]-2-sulfanylideneimidazolidin-4-one;(5Z)-5-[[4-methoxy-3-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)phenyl]methylidene]-2-sulfanylideneimidazolidin-4-one;(5Z)-5-[[5-methoxy-6-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]methylidene]-2-sulfanylideneimidazolidin-4-one;(5Z)-5-[[6-methoxy-5-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-3-pyridinyl]methylidene]-2-sulfanylideneimidazolidin-4-one?

The IUPAC name of (5Z)-5-[[2-fluoro-4-methoxy-3-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)phenyl]methylidene]-2-sulfanylideneimidazolidin-4-one;(5Z)-5-[[2-hydroxy-4-methoxy-5-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)phenyl]methylidene]-2-sulfanylideneimidazolidin-4-one;(5Z)-5-[[4-methoxy-3-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)phenyl]methylidene]-2-sulfanylideneimidazolidin-4-one;(5Z)-5-[[5-methoxy-6-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]methylidene]-2-sulfanylideneimidazolidin-4-one;(5Z)-5-[[6-methoxy-5-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-3-pyridinyl]methylidene]-2-sulfanylideneimidazolidin-4-one (CID 159727546) is (5Z)-5-[[2-fluoro-4-methoxy-3-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)phenyl]methylidene]-2-sulfanylideneimidazolidin-4-one;(5Z)-5-[[2-hydroxy-4-methoxy-5-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)phenyl]methylidene]-2-sulfanylideneimidazolidin-4-one;(5Z)-5-[[4-methoxy-3-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)phenyl]methylidene]-2-sulfanylideneimidazolidin-4-one;(5Z)-5-[[5-methoxy-6-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]methylidene]-2-sulfanylideneimidazolidin-4-one;(5Z)-5-[[6-methoxy-5-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-3-pyridinyl]methylidene]-2-sulfanylideneimidazolidin-4-one.

What is the SMILES notation for (5Z)-5-[[2-fluoro-4-methoxy-3-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)phenyl]methylidene]-2-sulfanylideneimidazolidin-4-one;(5Z)-5-[[2-hydroxy-4-methoxy-5-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)phenyl]methylidene]-2-sulfanylideneimidazolidin-4-one;(5Z)-5-[[4-methoxy-3-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)phenyl]methylidene]-2-sulfanylideneimidazolidin-4-one;(5Z)-5-[[5-methoxy-6-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]methylidene]-2-sulfanylideneimidazolidin-4-one;(5Z)-5-[[6-methoxy-5-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-3-pyridinyl]methylidene]-2-sulfanylideneimidazolidin-4-one?

The canonical SMILES for (5Z)-5-[[2-fluoro-4-methoxy-3-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)phenyl]methylidene]-2-sulfanylideneimidazolidin-4-one;(5Z)-5-[[2-hydroxy-4-methoxy-5-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)phenyl]methylidene]-2-sulfanylideneimidazolidin-4-one;(5Z)-5-[[4-methoxy-3-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)phenyl]methylidene]-2-sulfanylideneimidazolidin-4-one;(5Z)-5-[[5-methoxy-6-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]methylidene]-2-sulfanylideneimidazolidin-4-one;(5Z)-5-[[6-methoxy-5-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-3-pyridinyl]methylidene]-2-sulfanylideneimidazolidin-4-one is COc1cc(O)c(/C=C2\NC(=S)NC2=O)cc1-c1cc2c(cc1C)C(C)(C)CCC2(C)C.COc1ccc(/C=C2\NC(=S)NC2=O)c(F)c1-c1cc2c(cc1C)C(C)(C)CCC2(C)C.COc1ccc(/C=C2\NC(=S)NC2=O)cc1-c1cc2c(cc1C)C(C)(C)CCC2(C)C.COc1ccc(/C=C2\NC(=S)NC2=O)nc1-c1cc2c(cc1C)C(C)(C)CCC2(C)C.COc1ncc(/C=C2\NC(=S)NC2=O)cc1-c1cc2c(cc1C)C(C)(C)CCC2(C)C.

What is the InChIKey of (5Z)-5-[[2-fluoro-4-methoxy-3-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)phenyl]methylidene]-2-sulfanylideneimidazolidin-4-one;(5Z)-5-[[2-hydroxy-4-methoxy-5-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)phenyl]methylidene]-2-sulfanylideneimidazolidin-4-one;(5Z)-5-[[4-methoxy-3-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)phenyl]methylidene]-2-sulfanylideneimidazolidin-4-one;(5Z)-5-[[5-methoxy-6-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]methylidene]-2-sulfanylideneimidazolidin-4-one;(5Z)-5-[[6-methoxy-5-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-3-pyridinyl]methylidene]-2-sulfanylideneimidazolidin-4-one?

The InChIKey is NAVBVYZPGMLVMW-JCPKMSKYSA-N. The full InChI is InChI=1S/C26H29FN2O2S.C26H30N2O3S.C26H30N2O2S.2C25H29N3O2S/c1-14-11-17-18(26(4,5)10-9-25(17,2)3)13-16(14)21-20(31-6)8-7-15(22(21)27)12-19-23(30)29-24(32)28-19;1-14-9-18-19(26(4,5)8-7-25(18,2)3)12-16(14)17-10-15(21(29)13-22(17)31-6)11-20-23(30)28-24(32)27-20;1-15-11-19-20(26(4,5)10-9-25(19,2)3)14-17(15)18-12-16(7-8-22(18)30-6)13-21-23(29)28-24(31)27-21;1-14-9-18-19(25(4,5)8-7-24(18,2)3)12-16(14)17-10-15(13-26-22(17)30-6)11-20-21(29)28-23(31)27-20;1-14-11-17-18(25(4,5)10-9-24(17,2)3)13-16(14)21-20(30-6)8-7-15(26-21)12-19-22(29)28-23(31)27-19/h7-8,11-13H,9-10H2,1-6H3,(H2,28,29,30,32);9-13,29H,7-8H2,1-6H3,(H2,27,28,30,32);7-8,11-14H,9-10H2,1-6H3,(H2,27,28,29,31);9-13H,7-8H2,1-6H3,(H2,27,28,29,31);7-8,11-13H,9-10H2,1-6H3,(H2,27,28,29,31)/b19-12-;20-11-;21-13-;20-11-;19-12-.

What are the key properties of (5Z)-5-[[2-fluoro-4-methoxy-3-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)phenyl]methylidene]-2-sulfanylideneimidazolidin-4-one;(5Z)-5-[[2-hydroxy-4-methoxy-5-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)phenyl]methylidene]-2-sulfanylideneimidazolidin-4-one;(5Z)-5-[[4-methoxy-3-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)phenyl]methylidene]-2-sulfanylideneimidazolidin-4-one;(5Z)-5-[[5-methoxy-6-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]methylidene]-2-sulfanylideneimidazolidin-4-one;(5Z)-5-[[6-methoxy-5-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-3-pyridinyl]methylidene]-2-sulfanylideneimidazolidin-4-one?

(5Z)-5-[[2-fluoro-4-methoxy-3-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)phenyl]methylidene]-2-sulfanylideneimidazolidin-4-one;(5Z)-5-[[2-hydroxy-4-methoxy-5-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)phenyl]methylidene]-2-sulfanylideneimidazolidin-4-one;(5Z)-5-[[4-methoxy-3-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)phenyl]methylidene]-2-sulfanylideneimidazolidin-4-one;(5Z)-5-[[5-methoxy-6-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]methylidene]-2-sulfanylideneimidazolidin-4-one;(5Z)-5-[[6-methoxy-5-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-3-pyridinyl]methylidene]-2-sulfanylideneimidazolidin-4-one has a molecular weight of 2208.99 g/mol, XLogP of 25.46, 15 rotatable bonds, 11 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for (5Z)-5-[[2-fluoro-4-methoxy-3-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)phenyl]methylidene]-2-sulfanylideneimidazolidin-4-one;(5Z)-5-[[2-hydroxy-4-methoxy-5-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)phenyl]methylidene]-2-sulfanylideneimidazolidin-4-one;(5Z)-5-[[4-methoxy-3-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)phenyl]methylidene]-2-sulfanylideneimidazolidin-4-one;(5Z)-5-[[5-methoxy-6-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]methylidene]-2-sulfanylideneimidazolidin-4-one;(5Z)-5-[[6-methoxy-5-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-3-pyridinyl]methylidene]-2-sulfanylideneimidazolidin-4-one is sourced from PubChem (CID 159727546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).