1-[2-[[3a,6a-dibutyl-1-ethyl-4,6-bis(methoxymethyl)-2,5-dioxoimidazo[4,5-d]imidazol-3-yl]methoxy]ethyl]-3-(2-hydroxyethyl)-5-(2-methoxyethyl)-1,3,5-triazinane-2,4,6-trione;3a,6a-dibutyl-1-ethyl-3-[[(E)-4-methoxybut-2-enoxy]methyl]-4,6-bis(methoxymethyl)imidazo[4,5-d]imidazole-2,5-dione;3a,6a-dibutyl-1-ethyl-3-[(5-methoxy-1,4-dithian-2-yl)oxymethyl]-4,6-bis(methoxymethyl)imidazo[4,5-d]imidazole-2,5-dione;1,3a,6a-triethyl-3-[[(E)-4-methoxybut-2-enoxy]methyl]-4,6-bis(methoxymethyl)imidazo[4,5-d]imidazole-2,5-dione;1,3a,6a-triethyl-3-[(5-methoxy-1,4-dithian-2-yl)oxymethyl]-4,6-bis(methoxymethyl)imidazo[4,5-d]imidazole-2,5-dione;1-[2-[[1-ethyl-4,6-bis(methoxymethyl)-3a-methyl-2,5-dioxo-6a-propylimidazo[4,5-d]imidazol-3-yl]methoxy]ethyl]-3-(2-hydroxyethyl)-5-(2-methoxyethyl)-1,3,5-triazinane-2,4,6-trione;1-[2-[[1-ethyl-4,6-bis(methoxymethyl)-2,5-dioxo-3a,6a-dipropylimidazo[4,5-d]imidazol-3-yl]methoxy]ethyl]-3-(2-hydroxyethyl)-5-(2-methoxyethyl)-1,3,5-triazinane-2,4,6-trione;1-ethyl-3-[[(E)-4-methoxybut-2-enoxy]methyl]-4,6-bis(methoxymethyl)-3a,6a-dipropylimidazo[4,5-d]imidazole-2,5-dione;1-ethyl-3-[(5-methoxy-1,4-dithian-2-yl)oxymethyl]-4,6-bis(methoxymethyl)-3a,6a-dipropylimidazo[4,5-d]imidazole-2,5-dione;1-ethyl-3-[(5-methoxy-1,4-dithian-2-yl)oxymethyl]-4,6-bis(methoxymethyl)-3a-methyl-6a-propylimidazo[4,5-d]imidazole-2,5-dione;methane

C253H497N49O72S8 — CID 159187003

About 1-[2-[[3a,6a-dibutyl-1-ethyl-4,6-bis(methoxymethyl)-2,5-dioxoimidazo[4,5-d]imidazol-3-yl]methoxy]ethyl]-3-(2-hydroxyethyl)-5-(2-methoxyethyl)-1,3,5-triazinane-2,4,6-trione;3a,6a-dibutyl-1-ethyl-3-[[(E)-4-methoxybut-2-enoxy]methyl]-4,6-bis(methoxymethyl)imidazo[4,5-d]imidazole-2,5-dione;3a,6a-dibutyl-1-ethyl-3-[(5-methoxy-1,4-dithian-2-yl)oxymethyl]-4,6-bis(methoxymethyl)imidazo[4,5-d]imidazole-2,5-dione;1,3a,6a-triethyl-3-[[(E)-4-methoxybut-2-enoxy]methyl]-4,6-bis(methoxymethyl)imidazo[4,5-d]imidazole-2,5-dione;1,3a,6a-triethyl-3-[(5-methoxy-1,4-dithian-2-yl)oxymethyl]-4,6-bis(methoxymethyl)imidazo[4,5-d]imidazole-2,5-dione;1-[2-[[1-ethyl-4,6-bis(methoxymethyl)-3a-methyl-2,5-dioxo-6a-propylimidazo[4,5-d]imidazol-3-yl]methoxy]ethyl]-3-(2-hydroxyethyl)-5-(2-methoxyethyl)-1,3,5-triazinane-2,4,6-trione;1-[2-[[1-ethyl-4,6-bis(methoxymethyl)-2,5-dioxo-3a,6a-dipropylimidazo[4,5-d]imidazol-3-yl]methoxy]ethyl]-3-(2-hydroxyethyl)-5-(2-methoxyethyl)-1,3,5-triazinane-2,4,6-trione;1-ethyl-3-[[(E)-4-methoxybut-2-enoxy]methyl]-4,6-bis(methoxymethyl)-3a,6a-dipropylimidazo[4,5-d]imidazole-2,5-dione;1-ethyl-3-[(5-methoxy-1,4-dithian-2-yl)oxymethyl]-4,6-bis(methoxymethyl)-3a,6a-dipropylimidazo[4,5-d]imidazole-2,5-dione;1-ethyl-3-[(5-methoxy-1,4-dithian-2-yl)oxymethyl]-4,6-bis(methoxymethyl)-3a-methyl-6a-propylimidazo[4,5-d]imidazole-2,5-dione;methane

1-[2-[[3a,6a-dibutyl-1-ethyl-4,6-bis(methoxymethyl)-2,5-dioxoimidazo[4,5-d]imidazol-3-yl]methoxy]ethyl]-3-(2-hydroxyethyl)-5-(2-methoxyethyl)-1,3,5-triazinane-2,4,6-trione;3a,6a-dibutyl-1-ethyl-3-[[(E)-4-methoxybut-2-enoxy]methyl]-4,6-bis(methoxymethyl)imidazo[4,5-d]imidazole-2,5-dione;3a,6a-dibutyl-1-ethyl-3-[(5-methoxy-1,4-dithian-2-yl)oxymethyl]-4,6-bis(methoxymethyl)imidazo[4,5-d]imidazole-2,5-dione;1,3a,6a-triethyl-3-[[(E)-4-methoxybut-2-enoxy]methyl]-4,6-bis(methoxymethyl)imidazo[4,5-d]imidazole-2,5-dione;1,3a,6a-triethyl-3-[(5-methoxy-1,4-dithian-2-yl)oxymethyl]-4,6-bis(methoxymethyl)imidazo[4,5-d]imidazole-2,5-dione;1-[2-[[1-ethyl-4,6-bis(methoxymethyl)-3a-methyl-2,5-dioxo-6a-propylimidazo[4,5-d]imidazol-3-yl]methoxy]ethyl]-3-(2-hydroxyethyl)-5-(2-methoxyethyl)-1,3,5-triazinane-2,4,6-trione;1-[2-[[1-ethyl-4,6-bis(methoxymethyl)-2,5-dioxo-3a,6a-dipropylimidazo[4,5-d]imidazol-3-yl]methoxy]ethyl]-3-(2-hydroxyethyl)-5-(2-methoxyethyl)-1,3,5-triazinane-2,4,6-trione;1-ethyl-3-[[(E)-4-methoxybut-2-enoxy]methyl]-4,6-bis(methoxymethyl)-3a,6a-dipropylimidazo[4,5-d]imidazole-2,5-dione;1-ethyl-3-[(5-methoxy-1,4-dithian-2-yl)oxymethyl]-4,6-bis(methoxymethyl)-3a,6a-dipropylimidazo[4,5-d]imidazole-2,5-dione;1-ethyl-3-[(5-methoxy-1,4-dithian-2-yl)oxymethyl]-4,6-bis(methoxymethyl)-3a-methyl-6a-propylimidazo[4,5-d]imidazole-2,5-dione;methane (PubChem CID 159187003) has the molecular formula C253H497N49O72S8 and a molecular weight of 5634.57 g/mol. Its IUPAC name is 1-[2-[[3a,6a-dibutyl-1-ethyl-4,6-bis(methoxymethyl)-2,5-dioxoimidazo[4,5-d]imidazol-3-yl]methoxy]ethyl]-3-(2-hydroxyethyl)-5-(2-methoxyethyl)-1,3,5-triazinane-2,4,6-trione;3a,6a-dibutyl-1-ethyl-3-[[(E)-4-methoxybut-2-enoxy]methyl]-4,6-bis(methoxymethyl)imidazo[4,5-d]imidazole-2,5-dione;3a,6a-dibutyl-1-ethyl-3-[(5-methoxy-1,4-dithian-2-yl)oxymethyl]-4,6-bis(methoxymethyl)imidazo[4,5-d]imidazole-2,5-dione;1,3a,6a-triethyl-3-[[(E)-4-methoxybut-2-enoxy]methyl]-4,6-bis(methoxymethyl)imidazo[4,5-d]imidazole-2,5-dione;1,3a,6a-triethyl-3-[(5-methoxy-1,4-dithian-2-yl)oxymethyl]-4,6-bis(methoxymethyl)imidazo[4,5-d]imidazole-2,5-dione;1-[2-[[1-ethyl-4,6-bis(methoxymethyl)-3a-methyl-2,5-dioxo-6a-propylimidazo[4,5-d]imidazol-3-yl]methoxy]ethyl]-3-(2-hydroxyethyl)-5-(2-methoxyethyl)-1,3,5-triazinane-2,4,6-trione;1-[2-[[1-ethyl-4,6-bis(methoxymethyl)-2,5-dioxo-3a,6a-dipropylimidazo[4,5-d]imidazol-3-yl]methoxy]ethyl]-3-(2-hydroxyethyl)-5-(2-methoxyethyl)-1,3,5-triazinane-2,4,6-trione;1-ethyl-3-[[(E)-4-methoxybut-2-enoxy]methyl]-4,6-bis(methoxymethyl)-3a,6a-dipropylimidazo[4,5-d]imidazole-2,5-dione;1-ethyl-3-[(5-methoxy-1,4-dithian-2-yl)oxymethyl]-4,6-bis(methoxymethyl)-3a,6a-dipropylimidazo[4,5-d]imidazole-2,5-dione;1-ethyl-3-[(5-methoxy-1,4-dithian-2-yl)oxymethyl]-4,6-bis(methoxymethyl)-3a-methyl-6a-propylimidazo[4,5-d]imidazole-2,5-dione;methane.

Molecular Properties

• Compound Name: 1-[2-[[3a,6a-dibutyl-1-ethyl-4,6-bis(methoxymethyl)-2,5-dioxoimidazo[4,5-d]imidazol-3-yl]methoxy]ethyl]-3-(2-hydroxyethyl)-5-(2-methoxyethyl)-1,3,5-triazinane-2,4,6-trione;3a,6a-dibutyl-1-ethyl-3-[[(E)-4-methoxybut-2-enoxy]methyl]-4,6-bis(methoxymethyl)imidazo[4,5-d]imidazole-2,5-dione;3a,6a-dibutyl-1-ethyl-3-[(5-methoxy-1,4-dithian-2-yl)oxymethyl]-4,6-bis(methoxymethyl)imidazo[4,5-d]imidazole-2,5-dione;1,3a,6a-triethyl-3-[[(E)-4-methoxybut-2-enoxy]methyl]-4,6-bis(methoxymethyl)imidazo[4,5-d]imidazole-2,5-dione;1,3a,6a-triethyl-3-[(5-methoxy-1,4-dithian-2-yl)oxymethyl]-4,6-bis(methoxymethyl)imidazo[4,5-d]imidazole-2,5-dione;1-[2-[[1-ethyl-4,6-bis(methoxymethyl)-3a-methyl-2,5-dioxo-6a-propylimidazo[4,5-d]imidazol-3-yl]methoxy]ethyl]-3-(2-hydroxyethyl)-5-(2-methoxyethyl)-1,3,5-triazinane-2,4,6-trione;1-[2-[[1-ethyl-4,6-bis(methoxymethyl)-2,5-dioxo-3a,6a-dipropylimidazo[4,5-d]imidazol-3-yl]methoxy]ethyl]-3-(2-hydroxyethyl)-5-(2-methoxyethyl)-1,3,5-triazinane-2,4,6-trione;1-ethyl-3-[[(E)-4-methoxybut-2-enoxy]methyl]-4,6-bis(methoxymethyl)-3a,6a-dipropylimidazo[4,5-d]imidazole-2,5-dione;1-ethyl-3-[(5-methoxy-1,4-dithian-2-yl)oxymethyl]-4,6-bis(methoxymethyl)-3a,6a-dipropylimidazo[4,5-d]imidazole-2,5-dione;1-ethyl-3-[(5-methoxy-1,4-dithian-2-yl)oxymethyl]-4,6-bis(methoxymethyl)-3a-methyl-6a-propylimidazo[4,5-d]imidazole-2,5-dione;methane
• PubChem CID: 159187003
• Molecular Formula: C253H497N49O72S8
• Molecular Weight: 5634.57 g/mol
• Exact Mass: 5630.45
• IUPAC Name: 1-[2-[[3a,6a-dibutyl-1-ethyl-4,6-bis(methoxymethyl)-2,5-dioxoimidazo[4,5-d]imidazol-3-yl]methoxy]ethyl]-3-(2-hydroxyethyl)-5-(2-methoxyethyl)-1,3,5-triazinane-2,4,6-trione;3a,6a-dibutyl-1-ethyl-3-[[(E)-4-methoxybut-2-enoxy]methyl]-4,6-bis(methoxymethyl)imidazo[4,5-d]imidazole-2,5-dione;3a,6a-dibutyl-1-ethyl-3-[(5-methoxy-1,4-dithian-2-yl)oxymethyl]-4,6-bis(methoxymethyl)imidazo[4,5-d]imidazole-2,5-dione;1,3a,6a-triethyl-3-[[(E)-4-methoxybut-2-enoxy]methyl]-4,6-bis(methoxymethyl)imidazo[4,5-d]imidazole-2,5-dione;1,3a,6a-triethyl-3-[(5-methoxy-1,4-dithian-2-yl)oxymethyl]-4,6-bis(methoxymethyl)imidazo[4,5-d]imidazole-2,5-dione;1-[2-[[1-ethyl-4,6-bis(methoxymethyl)-3a-methyl-2,5-dioxo-6a-propylimidazo[4,5-d]imidazol-3-yl]methoxy]ethyl]-3-(2-hydroxyethyl)-5-(2-methoxyethyl)-1,3,5-triazinane-2,4,6-trione;1-[2-[[1-ethyl-4,6-bis(methoxymethyl)-2,5-dioxo-3a,6a-dipropylimidazo[4,5-d]imidazol-3-yl]methoxy]ethyl]-3-(2-hydroxyethyl)-5-(2-methoxyethyl)-1,3,5-triazinane-2,4,6-trione;1-ethyl-3-[[(E)-4-methoxybut-2-enoxy]methyl]-4,6-bis(methoxymethyl)-3a,6a-dipropylimidazo[4,5-d]imidazole-2,5-dione;1-ethyl-3-[(5-methoxy-1,4-dithian-2-yl)oxymethyl]-4,6-bis(methoxymethyl)-3a,6a-dipropylimidazo[4,5-d]imidazole-2,5-dione;1-ethyl-3-[(5-methoxy-1,4-dithian-2-yl)oxymethyl]-4,6-bis(methoxymethyl)-3a-methyl-6a-propylimidazo[4,5-d]imidazole-2,5-dione;methane
• SMILES: C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.CCCC12N(CC)C(=O)N(COC/C=C/COC)C1(CCC)N(COC)C(=O)N2COC.CCCC12N(CC)C(=O)N(COC3CSC(OC)CS3)C1(C)N(COC)C(=O)N2COC.CCCC12N(CC)C(=O)N(COC3CSC(OC)CS3)C1(CCC)N(COC)C(=O)N2COC.CCCC12N(CC)C(=O)N(COCCn3c(=O)n(CCO)c(=O)n(CCOC)c3=O)C1(C)N(COC)C(=O)N2COC.CCCC12N(CC)C(=O)N(COCCn3c(=O)n(CCO)c(=O)n(CCOC)c3=O)C1(CCC)N(COC)C(=O)N2COC.CCCCC12N(CC)C(=O)N(COC/C=C/COC)C1(CCCC)N(COC)C(=O)N2COC.CCCCC12N(CC)C(=O)N(COC3CSC(OC)CS3)C1(CCCC)N(COC)C(=O)N2COC.CCCCC12N(CC)C(=O)N(COCCn3c(=O)n(CCO)c(=O)n(CCOC)c3=O)C1(CCCC)N(COC)C(=O)N2COC.CCN1C(=O)N(COC/C=C/COC)C2(CC)N(COC)C(=O)N(COC)C12CC.CCN1C(=O)N(COC2CSC(OC)CS2)C2(CC)N(COC)C(=O)N(COC)C12CC
• InChI: InChI=1S/C29H51N7O10.C27H47N7O10.C25H43N7O10.C24H44N4O6S2.C24H44N4O6.C22H40N4O6S2.C22H40N4O6.2C20H36N4O6S2.C20H36N4O6.20CH4/c1-7-10-12-28-29(13-11-8-2,35(21-45-6)27(42)34(28)20-44-5)36(26(41)33(28)9-3)22-46-19-16-32-24(39)30(14-17-37)23(38)31(25(32)40)15-18-43-4;1-7-10-26-27(11-8-2,33(19-43-6)25(40)32(26)18-42-5)34(24(39)31(26)9-3)20-44-17-14-30-22(37)28(12-15-35)21(36)29(23(30)38)13-16-41-4;1-7-9-25-24(3,30(16-40-5)23(38)32(25)17-41-6)31(22(37)29(25)8-2)18-42-15-12-28-20(35)26(10-13-33)19(34)27(21(28)36)11-14-39-4;1-7-10-12-23-24(13-11-8-2,27(17-32-5)22(30)26(23)16-31-4)28(21(29)25(23)9-3)18-34-20-15-35-19(33-6)14-36-20;1-7-10-14-23-24(15-11-8-2,27(19-33-6)22(30)26(23)18-32-5)28(21(29)25(23)9-3)20-34-17-13-12-16-31-4;1-7-10-21-22(11-8-2,25(15-30-5)20(28)24(21)14-29-4)26(19(27)23(21)9-3)16-32-18-13-33-17(31-6)12-34-18;1-7-12-21-22(13-8-2,25(17-31-6)20(28)24(21)16-30-5)26(19(27)23(21)9-3)18-32-15-11-10-14-29-4;1-7-9-20-19(3,22(12-27-4)18(26)24(20)13-28-5)23(17(25)21(20)8-2)14-30-16-11-31-15(29-6)10-32-16;1-7-19-20(8-2,23(13-28-5)18(26)22(19)12-27-4)24(17(25)21(19)9-3)14-30-16-11-31-15(29-6)10-32-16;1-7-19-20(8-2,23(15-29-6)18(26)22(19)14-28-5)24(17(25)21(19)9-3)16-30-13-11-10-12-27-4;;;;;;;;;;;;;;;;;;;;/h37H,7-22H2,1-6H3;35H,7-20H2,1-6H3;33H,7-18H2,1-6H3;19-20H,7-18H2,1-6H3;12-13H,7-11,14-20H2,1-6H3;17-18H,7-16H2,1-6H3;10-11H,7-9,12-18H2,1-6H3;2*15-16H,7-14H2,1-6H3;10-11H,7-9,12-16H2,1-6H3;20*1H4/b;;;;13-12+;;11-10+;;;11-10+
• InChIKey: KNPPVPSDIIABIF-AKWRMSJJSA-N
• XLogP: 32.70
• TPSA: 1098.89 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 89
• Rotatable Bonds: 152
• Heavy Atoms: 382
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	5634.57
LogP ≤ 5	32.70
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	89

Frequently Asked Questions

What is the IUPAC name of 1-[2-[[3a,6a-dibutyl-1-ethyl-4,6-bis(methoxymethyl)-2,5-dioxoimidazo[4,5-d]imidazol-3-yl]methoxy]ethyl]-3-(2-hydroxyethyl)-5-(2-methoxyethyl)-1,3,5-triazinane-2,4,6-trione;3a,6a-dibutyl-1-ethyl-3-[[(E)-4-methoxybut-2-enoxy]methyl]-4,6-bis(methoxymethyl)imidazo[4,5-d]imidazole-2,5-dione;3a,6a-dibutyl-1-ethyl-3-[(5-methoxy-1,4-dithian-2-yl)oxymethyl]-4,6-bis(methoxymethyl)imidazo[4,5-d]imidazole-2,5-dione;1,3a,6a-triethyl-3-[[(E)-4-methoxybut-2-enoxy]methyl]-4,6-bis(methoxymethyl)imidazo[4,5-d]imidazole-2,5-dione;1,3a,6a-triethyl-3-[(5-methoxy-1,4-dithian-2-yl)oxymethyl]-4,6-bis(methoxymethyl)imidazo[4,5-d]imidazole-2,5-dione;1-[2-[[1-ethyl-4,6-bis(methoxymethyl)-3a-methyl-2,5-dioxo-6a-propylimidazo[4,5-d]imidazol-3-yl]methoxy]ethyl]-3-(2-hydroxyethyl)-5-(2-methoxyethyl)-1,3,5-triazinane-2,4,6-trione;1-[2-[[1-ethyl-4,6-bis(methoxymethyl)-2,5-dioxo-3a,6a-dipropylimidazo[4,5-d]imidazol-3-yl]methoxy]ethyl]-3-(2-hydroxyethyl)-5-(2-methoxyethyl)-1,3,5-triazinane-2,4,6-trione;1-ethyl-3-[[(E)-4-methoxybut-2-enoxy]methyl]-4,6-bis(methoxymethyl)-3a,6a-dipropylimidazo[4,5-d]imidazole-2,5-dione;1-ethyl-3-[(5-methoxy-1,4-dithian-2-yl)oxymethyl]-4,6-bis(methoxymethyl)-3a,6a-dipropylimidazo[4,5-d]imidazole-2,5-dione;1-ethyl-3-[(5-methoxy-1,4-dithian-2-yl)oxymethyl]-4,6-bis(methoxymethyl)-3a-methyl-6a-propylimidazo[4,5-d]imidazole-2,5-dione;methane?

The IUPAC name of 1-[2-[[3a,6a-dibutyl-1-ethyl-4,6-bis(methoxymethyl)-2,5-dioxoimidazo[4,5-d]imidazol-3-yl]methoxy]ethyl]-3-(2-hydroxyethyl)-5-(2-methoxyethyl)-1,3,5-triazinane-2,4,6-trione;3a,6a-dibutyl-1-ethyl-3-[[(E)-4-methoxybut-2-enoxy]methyl]-4,6-bis(methoxymethyl)imidazo[4,5-d]imidazole-2,5-dione;3a,6a-dibutyl-1-ethyl-3-[(5-methoxy-1,4-dithian-2-yl)oxymethyl]-4,6-bis(methoxymethyl)imidazo[4,5-d]imidazole-2,5-dione;1,3a,6a-triethyl-3-[[(E)-4-methoxybut-2-enoxy]methyl]-4,6-bis(methoxymethyl)imidazo[4,5-d]imidazole-2,5-dione;1,3a,6a-triethyl-3-[(5-methoxy-1,4-dithian-2-yl)oxymethyl]-4,6-bis(methoxymethyl)imidazo[4,5-d]imidazole-2,5-dione;1-[2-[[1-ethyl-4,6-bis(methoxymethyl)-3a-methyl-2,5-dioxo-6a-propylimidazo[4,5-d]imidazol-3-yl]methoxy]ethyl]-3-(2-hydroxyethyl)-5-(2-methoxyethyl)-1,3,5-triazinane-2,4,6-trione;1-[2-[[1-ethyl-4,6-bis(methoxymethyl)-2,5-dioxo-3a,6a-dipropylimidazo[4,5-d]imidazol-3-yl]methoxy]ethyl]-3-(2-hydroxyethyl)-5-(2-methoxyethyl)-1,3,5-triazinane-2,4,6-trione;1-ethyl-3-[[(E)-4-methoxybut-2-enoxy]methyl]-4,6-bis(methoxymethyl)-3a,6a-dipropylimidazo[4,5-d]imidazole-2,5-dione;1-ethyl-3-[(5-methoxy-1,4-dithian-2-yl)oxymethyl]-4,6-bis(methoxymethyl)-3a,6a-dipropylimidazo[4,5-d]imidazole-2,5-dione;1-ethyl-3-[(5-methoxy-1,4-dithian-2-yl)oxymethyl]-4,6-bis(methoxymethyl)-3a-methyl-6a-propylimidazo[4,5-d]imidazole-2,5-dione;methane (CID 159187003) is 1-[2-[[3a,6a-dibutyl-1-ethyl-4,6-bis(methoxymethyl)-2,5-dioxoimidazo[4,5-d]imidazol-3-yl]methoxy]ethyl]-3-(2-hydroxyethyl)-5-(2-methoxyethyl)-1,3,5-triazinane-2,4,6-trione;3a,6a-dibutyl-1-ethyl-3-[[(E)-4-methoxybut-2-enoxy]methyl]-4,6-bis(methoxymethyl)imidazo[4,5-d]imidazole-2,5-dione;3a,6a-dibutyl-1-ethyl-3-[(5-methoxy-1,4-dithian-2-yl)oxymethyl]-4,6-bis(methoxymethyl)imidazo[4,5-d]imidazole-2,5-dione;1,3a,6a-triethyl-3-[[(E)-4-methoxybut-2-enoxy]methyl]-4,6-bis(methoxymethyl)imidazo[4,5-d]imidazole-2,5-dione;1,3a,6a-triethyl-3-[(5-methoxy-1,4-dithian-2-yl)oxymethyl]-4,6-bis(methoxymethyl)imidazo[4,5-d]imidazole-2,5-dione;1-[2-[[1-ethyl-4,6-bis(methoxymethyl)-3a-methyl-2,5-dioxo-6a-propylimidazo[4,5-d]imidazol-3-yl]methoxy]ethyl]-3-(2-hydroxyethyl)-5-(2-methoxyethyl)-1,3,5-triazinane-2,4,6-trione;1-[2-[[1-ethyl-4,6-bis(methoxymethyl)-2,5-dioxo-3a,6a-dipropylimidazo[4,5-d]imidazol-3-yl]methoxy]ethyl]-3-(2-hydroxyethyl)-5-(2-methoxyethyl)-1,3,5-triazinane-2,4,6-trione;1-ethyl-3-[[(E)-4-methoxybut-2-enoxy]methyl]-4,6-bis(methoxymethyl)-3a,6a-dipropylimidazo[4,5-d]imidazole-2,5-dione;1-ethyl-3-[(5-methoxy-1,4-dithian-2-yl)oxymethyl]-4,6-bis(methoxymethyl)-3a,6a-dipropylimidazo[4,5-d]imidazole-2,5-dione;1-ethyl-3-[(5-methoxy-1,4-dithian-2-yl)oxymethyl]-4,6-bis(methoxymethyl)-3a-methyl-6a-propylimidazo[4,5-d]imidazole-2,5-dione;methane.

What is the SMILES notation for 1-[2-[[3a,6a-dibutyl-1-ethyl-4,6-bis(methoxymethyl)-2,5-dioxoimidazo[4,5-d]imidazol-3-yl]methoxy]ethyl]-3-(2-hydroxyethyl)-5-(2-methoxyethyl)-1,3,5-triazinane-2,4,6-trione;3a,6a-dibutyl-1-ethyl-3-[[(E)-4-methoxybut-2-enoxy]methyl]-4,6-bis(methoxymethyl)imidazo[4,5-d]imidazole-2,5-dione;3a,6a-dibutyl-1-ethyl-3-[(5-methoxy-1,4-dithian-2-yl)oxymethyl]-4,6-bis(methoxymethyl)imidazo[4,5-d]imidazole-2,5-dione;1,3a,6a-triethyl-3-[[(E)-4-methoxybut-2-enoxy]methyl]-4,6-bis(methoxymethyl)imidazo[4,5-d]imidazole-2,5-dione;1,3a,6a-triethyl-3-[(5-methoxy-1,4-dithian-2-yl)oxymethyl]-4,6-bis(methoxymethyl)imidazo[4,5-d]imidazole-2,5-dione;1-[2-[[1-ethyl-4,6-bis(methoxymethyl)-3a-methyl-2,5-dioxo-6a-propylimidazo[4,5-d]imidazol-3-yl]methoxy]ethyl]-3-(2-hydroxyethyl)-5-(2-methoxyethyl)-1,3,5-triazinane-2,4,6-trione;1-[2-[[1-ethyl-4,6-bis(methoxymethyl)-2,5-dioxo-3a,6a-dipropylimidazo[4,5-d]imidazol-3-yl]methoxy]ethyl]-3-(2-hydroxyethyl)-5-(2-methoxyethyl)-1,3,5-triazinane-2,4,6-trione;1-ethyl-3-[[(E)-4-methoxybut-2-enoxy]methyl]-4,6-bis(methoxymethyl)-3a,6a-dipropylimidazo[4,5-d]imidazole-2,5-dione;1-ethyl-3-[(5-methoxy-1,4-dithian-2-yl)oxymethyl]-4,6-bis(methoxymethyl)-3a,6a-dipropylimidazo[4,5-d]imidazole-2,5-dione;1-ethyl-3-[(5-methoxy-1,4-dithian-2-yl)oxymethyl]-4,6-bis(methoxymethyl)-3a-methyl-6a-propylimidazo[4,5-d]imidazole-2,5-dione;methane?

The canonical SMILES for 1-[2-[[3a,6a-dibutyl-1-ethyl-4,6-bis(methoxymethyl)-2,5-dioxoimidazo[4,5-d]imidazol-3-yl]methoxy]ethyl]-3-(2-hydroxyethyl)-5-(2-methoxyethyl)-1,3,5-triazinane-2,4,6-trione;3a,6a-dibutyl-1-ethyl-3-[[(E)-4-methoxybut-2-enoxy]methyl]-4,6-bis(methoxymethyl)imidazo[4,5-d]imidazole-2,5-dione;3a,6a-dibutyl-1-ethyl-3-[(5-methoxy-1,4-dithian-2-yl)oxymethyl]-4,6-bis(methoxymethyl)imidazo[4,5-d]imidazole-2,5-dione;1,3a,6a-triethyl-3-[[(E)-4-methoxybut-2-enoxy]methyl]-4,6-bis(methoxymethyl)imidazo[4,5-d]imidazole-2,5-dione;1,3a,6a-triethyl-3-[(5-methoxy-1,4-dithian-2-yl)oxymethyl]-4,6-bis(methoxymethyl)imidazo[4,5-d]imidazole-2,5-dione;1-[2-[[1-ethyl-4,6-bis(methoxymethyl)-3a-methyl-2,5-dioxo-6a-propylimidazo[4,5-d]imidazol-3-yl]methoxy]ethyl]-3-(2-hydroxyethyl)-5-(2-methoxyethyl)-1,3,5-triazinane-2,4,6-trione;1-[2-[[1-ethyl-4,6-bis(methoxymethyl)-2,5-dioxo-3a,6a-dipropylimidazo[4,5-d]imidazol-3-yl]methoxy]ethyl]-3-(2-hydroxyethyl)-5-(2-methoxyethyl)-1,3,5-triazinane-2,4,6-trione;1-ethyl-3-[[(E)-4-methoxybut-2-enoxy]methyl]-4,6-bis(methoxymethyl)-3a,6a-dipropylimidazo[4,5-d]imidazole-2,5-dione;1-ethyl-3-[(5-methoxy-1,4-dithian-2-yl)oxymethyl]-4,6-bis(methoxymethyl)-3a,6a-dipropylimidazo[4,5-d]imidazole-2,5-dione;1-ethyl-3-[(5-methoxy-1,4-dithian-2-yl)oxymethyl]-4,6-bis(methoxymethyl)-3a-methyl-6a-propylimidazo[4,5-d]imidazole-2,5-dione;methane is C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.CCCC12N(CC)C(=O)N(COC/C=C/COC)C1(CCC)N(COC)C(=O)N2COC.CCCC12N(CC)C(=O)N(COC3CSC(OC)CS3)C1(C)N(COC)C(=O)N2COC.CCCC12N(CC)C(=O)N(COC3CSC(OC)CS3)C1(CCC)N(COC)C(=O)N2COC.CCCC12N(CC)C(=O)N(COCCn3c(=O)n(CCO)c(=O)n(CCOC)c3=O)C1(C)N(COC)C(=O)N2COC.CCCC12N(CC)C(=O)N(COCCn3c(=O)n(CCO)c(=O)n(CCOC)c3=O)C1(CCC)N(COC)C(=O)N2COC.CCCCC12N(CC)C(=O)N(COC/C=C/COC)C1(CCCC)N(COC)C(=O)N2COC.CCCCC12N(CC)C(=O)N(COC3CSC(OC)CS3)C1(CCCC)N(COC)C(=O)N2COC.CCCCC12N(CC)C(=O)N(COCCn3c(=O)n(CCO)c(=O)n(CCOC)c3=O)C1(CCCC)N(COC)C(=O)N2COC.CCN1C(=O)N(COC/C=C/COC)C2(CC)N(COC)C(=O)N(COC)C12CC.CCN1C(=O)N(COC2CSC(OC)CS2)C2(CC)N(COC)C(=O)N(COC)C12CC.

What is the InChIKey of 1-[2-[[3a,6a-dibutyl-1-ethyl-4,6-bis(methoxymethyl)-2,5-dioxoimidazo[4,5-d]imidazol-3-yl]methoxy]ethyl]-3-(2-hydroxyethyl)-5-(2-methoxyethyl)-1,3,5-triazinane-2,4,6-trione;3a,6a-dibutyl-1-ethyl-3-[[(E)-4-methoxybut-2-enoxy]methyl]-4,6-bis(methoxymethyl)imidazo[4,5-d]imidazole-2,5-dione;3a,6a-dibutyl-1-ethyl-3-[(5-methoxy-1,4-dithian-2-yl)oxymethyl]-4,6-bis(methoxymethyl)imidazo[4,5-d]imidazole-2,5-dione;1,3a,6a-triethyl-3-[[(E)-4-methoxybut-2-enoxy]methyl]-4,6-bis(methoxymethyl)imidazo[4,5-d]imidazole-2,5-dione;1,3a,6a-triethyl-3-[(5-methoxy-1,4-dithian-2-yl)oxymethyl]-4,6-bis(methoxymethyl)imidazo[4,5-d]imidazole-2,5-dione;1-[2-[[1-ethyl-4,6-bis(methoxymethyl)-3a-methyl-2,5-dioxo-6a-propylimidazo[4,5-d]imidazol-3-yl]methoxy]ethyl]-3-(2-hydroxyethyl)-5-(2-methoxyethyl)-1,3,5-triazinane-2,4,6-trione;1-[2-[[1-ethyl-4,6-bis(methoxymethyl)-2,5-dioxo-3a,6a-dipropylimidazo[4,5-d]imidazol-3-yl]methoxy]ethyl]-3-(2-hydroxyethyl)-5-(2-methoxyethyl)-1,3,5-triazinane-2,4,6-trione;1-ethyl-3-[[(E)-4-methoxybut-2-enoxy]methyl]-4,6-bis(methoxymethyl)-3a,6a-dipropylimidazo[4,5-d]imidazole-2,5-dione;1-ethyl-3-[(5-methoxy-1,4-dithian-2-yl)oxymethyl]-4,6-bis(methoxymethyl)-3a,6a-dipropylimidazo[4,5-d]imidazole-2,5-dione;1-ethyl-3-[(5-methoxy-1,4-dithian-2-yl)oxymethyl]-4,6-bis(methoxymethyl)-3a-methyl-6a-propylimidazo[4,5-d]imidazole-2,5-dione;methane?

The InChIKey is KNPPVPSDIIABIF-AKWRMSJJSA-N. The full InChI is InChI=1S/C29H51N7O10.C27H47N7O10.C25H43N7O10.C24H44N4O6S2.C24H44N4O6.C22H40N4O6S2.C22H40N4O6.2C20H36N4O6S2.C20H36N4O6.20CH4/c1-7-10-12-28-29(13-11-8-2,35(21-45-6)27(42)34(28)20-44-5)36(26(41)33(28)9-3)22-46-19-16-32-24(39)30(14-17-37)23(38)31(25(32)40)15-18-43-4;1-7-10-26-27(11-8-2,33(19-43-6)25(40)32(26)18-42-5)34(24(39)31(26)9-3)20-44-17-14-30-22(37)28(12-15-35)21(36)29(23(30)38)13-16-41-4;1-7-9-25-24(3,30(16-40-5)23(38)32(25)17-41-6)31(22(37)29(25)8-2)18-42-15-12-28-20(35)26(10-13-33)19(34)27(21(28)36)11-14-39-4;1-7-10-12-23-24(13-11-8-2,27(17-32-5)22(30)26(23)16-31-4)28(21(29)25(23)9-3)18-34-20-15-35-19(33-6)14-36-20;1-7-10-14-23-24(15-11-8-2,27(19-33-6)22(30)26(23)18-32-5)28(21(29)25(23)9-3)20-34-17-13-12-16-31-4;1-7-10-21-22(11-8-2,25(15-30-5)20(28)24(21)14-29-4)26(19(27)23(21)9-3)16-32-18-13-33-17(31-6)12-34-18;1-7-12-21-22(13-8-2,25(17-31-6)20(28)24(21)16-30-5)26(19(27)23(21)9-3)18-32-15-11-10-14-29-4;1-7-9-20-19(3,22(12-27-4)18(26)24(20)13-28-5)23(17(25)21(20)8-2)14-30-16-11-31-15(29-6)10-32-16;1-7-19-20(8-2,23(13-28-5)18(26)22(19)12-27-4)24(17(25)21(19)9-3)14-30-16-11-31-15(29-6)10-32-16;1-7-19-20(8-2,23(15-29-6)18(26)22(19)14-28-5)24(17(25)21(19)9-3)16-30-13-11-10-12-27-4;;;;;;;;;;;;;;;;;;;;/h37H,7-22H2,1-6H3;35H,7-20H2,1-6H3;33H,7-18H2,1-6H3;19-20H,7-18H2,1-6H3;12-13H,7-11,14-20H2,1-6H3;17-18H,7-16H2,1-6H3;10-11H,7-9,12-18H2,1-6H3;2*15-16H,7-14H2,1-6H3;10-11H,7-9,12-16H2,1-6H3;20*1H4/b;;;;13-12+;;11-10+;;;11-10+;;;;;;;;;;;;;;;;;;;;.

What are the key properties of 1-[2-[[3a,6a-dibutyl-1-ethyl-4,6-bis(methoxymethyl)-2,5-dioxoimidazo[4,5-d]imidazol-3-yl]methoxy]ethyl]-3-(2-hydroxyethyl)-5-(2-methoxyethyl)-1,3,5-triazinane-2,4,6-trione;3a,6a-dibutyl-1-ethyl-3-[[(E)-4-methoxybut-2-enoxy]methyl]-4,6-bis(methoxymethyl)imidazo[4,5-d]imidazole-2,5-dione;3a,6a-dibutyl-1-ethyl-3-[(5-methoxy-1,4-dithian-2-yl)oxymethyl]-4,6-bis(methoxymethyl)imidazo[4,5-d]imidazole-2,5-dione;1,3a,6a-triethyl-3-[[(E)-4-methoxybut-2-enoxy]methyl]-4,6-bis(methoxymethyl)imidazo[4,5-d]imidazole-2,5-dione;1,3a,6a-triethyl-3-[(5-methoxy-1,4-dithian-2-yl)oxymethyl]-4,6-bis(methoxymethyl)imidazo[4,5-d]imidazole-2,5-dione;1-[2-[[1-ethyl-4,6-bis(methoxymethyl)-3a-methyl-2,5-dioxo-6a-propylimidazo[4,5-d]imidazol-3-yl]methoxy]ethyl]-3-(2-hydroxyethyl)-5-(2-methoxyethyl)-1,3,5-triazinane-2,4,6-trione;1-[2-[[1-ethyl-4,6-bis(methoxymethyl)-2,5-dioxo-3a,6a-dipropylimidazo[4,5-d]imidazol-3-yl]methoxy]ethyl]-3-(2-hydroxyethyl)-5-(2-methoxyethyl)-1,3,5-triazinane-2,4,6-trione;1-ethyl-3-[[(E)-4-methoxybut-2-enoxy]methyl]-4,6-bis(methoxymethyl)-3a,6a-dipropylimidazo[4,5-d]imidazole-2,5-dione;1-ethyl-3-[(5-methoxy-1,4-dithian-2-yl)oxymethyl]-4,6-bis(methoxymethyl)-3a,6a-dipropylimidazo[4,5-d]imidazole-2,5-dione;1-ethyl-3-[(5-methoxy-1,4-dithian-2-yl)oxymethyl]-4,6-bis(methoxymethyl)-3a-methyl-6a-propylimidazo[4,5-d]imidazole-2,5-dione;methane?

1-[2-[[3a,6a-dibutyl-1-ethyl-4,6-bis(methoxymethyl)-2,5-dioxoimidazo[4,5-d]imidazol-3-yl]methoxy]ethyl]-3-(2-hydroxyethyl)-5-(2-methoxyethyl)-1,3,5-triazinane-2,4,6-trione;3a,6a-dibutyl-1-ethyl-3-[[(E)-4-methoxybut-2-enoxy]methyl]-4,6-bis(methoxymethyl)imidazo[4,5-d]imidazole-2,5-dione;3a,6a-dibutyl-1-ethyl-3-[(5-methoxy-1,4-dithian-2-yl)oxymethyl]-4,6-bis(methoxymethyl)imidazo[4,5-d]imidazole-2,5-dione;1,3a,6a-triethyl-3-[[(E)-4-methoxybut-2-enoxy]methyl]-4,6-bis(methoxymethyl)imidazo[4,5-d]imidazole-2,5-dione;1,3a,6a-triethyl-3-[(5-methoxy-1,4-dithian-2-yl)oxymethyl]-4,6-bis(methoxymethyl)imidazo[4,5-d]imidazole-2,5-dione;1-[2-[[1-ethyl-4,6-bis(methoxymethyl)-3a-methyl-2,5-dioxo-6a-propylimidazo[4,5-d]imidazol-3-yl]methoxy]ethyl]-3-(2-hydroxyethyl)-5-(2-methoxyethyl)-1,3,5-triazinane-2,4,6-trione;1-[2-[[1-ethyl-4,6-bis(methoxymethyl)-2,5-dioxo-3a,6a-dipropylimidazo[4,5-d]imidazol-3-yl]methoxy]ethyl]-3-(2-hydroxyethyl)-5-(2-methoxyethyl)-1,3,5-triazinane-2,4,6-trione;1-ethyl-3-[[(E)-4-methoxybut-2-enoxy]methyl]-4,6-bis(methoxymethyl)-3a,6a-dipropylimidazo[4,5-d]imidazole-2,5-dione;1-ethyl-3-[(5-methoxy-1,4-dithian-2-yl)oxymethyl]-4,6-bis(methoxymethyl)-3a,6a-dipropylimidazo[4,5-d]imidazole-2,5-dione;1-ethyl-3-[(5-methoxy-1,4-dithian-2-yl)oxymethyl]-4,6-bis(methoxymethyl)-3a-methyl-6a-propylimidazo[4,5-d]imidazole-2,5-dione;methane has a molecular weight of 5634.57 g/mol, XLogP of 32.70, 152 rotatable bonds, 3 hydrogen bond donors, and 89 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-[[3a,6a-dibutyl-1-ethyl-4,6-bis(methoxymethyl)-2,5-dioxoimidazo[4,5-d]imidazol-3-yl]methoxy]ethyl]-3-(2-hydroxyethyl)-5-(2-methoxyethyl)-1,3,5-triazinane-2,4,6-trione;3a,6a-dibutyl-1-ethyl-3-[[(E)-4-methoxybut-2-enoxy]methyl]-4,6-bis(methoxymethyl)imidazo[4,5-d]imidazole-2,5-dione;3a,6a-dibutyl-1-ethyl-3-[(5-methoxy-1,4-dithian-2-yl)oxymethyl]-4,6-bis(methoxymethyl)imidazo[4,5-d]imidazole-2,5-dione;1,3a,6a-triethyl-3-[[(E)-4-methoxybut-2-enoxy]methyl]-4,6-bis(methoxymethyl)imidazo[4,5-d]imidazole-2,5-dione;1,3a,6a-triethyl-3-[(5-methoxy-1,4-dithian-2-yl)oxymethyl]-4,6-bis(methoxymethyl)imidazo[4,5-d]imidazole-2,5-dione;1-[2-[[1-ethyl-4,6-bis(methoxymethyl)-3a-methyl-2,5-dioxo-6a-propylimidazo[4,5-d]imidazol-3-yl]methoxy]ethyl]-3-(2-hydroxyethyl)-5-(2-methoxyethyl)-1,3,5-triazinane-2,4,6-trione;1-[2-[[1-ethyl-4,6-bis(methoxymethyl)-2,5-dioxo-3a,6a-dipropylimidazo[4,5-d]imidazol-3-yl]methoxy]ethyl]-3-(2-hydroxyethyl)-5-(2-methoxyethyl)-1,3,5-triazinane-2,4,6-trione;1-ethyl-3-[[(E)-4-methoxybut-2-enoxy]methyl]-4,6-bis(methoxymethyl)-3a,6a-dipropylimidazo[4,5-d]imidazole-2,5-dione;1-ethyl-3-[(5-methoxy-1,4-dithian-2-yl)oxymethyl]-4,6-bis(methoxymethyl)-3a,6a-dipropylimidazo[4,5-d]imidazole-2,5-dione;1-ethyl-3-[(5-methoxy-1,4-dithian-2-yl)oxymethyl]-4,6-bis(methoxymethyl)-3a-methyl-6a-propylimidazo[4,5-d]imidazole-2,5-dione;methane is sourced from PubChem (CID 159187003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).