3-acetyl-4-hydroxy-1,6-bis(methoxymethyl)-3a,6a-dihydroimidazo[4,5-d]imidazole-2,5-dione;4-[1,1-bis[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]ethyl]-2,6-bis(hydroxymethyl)phenol;4-[bis[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]methyl]-2,6-bis(hydroxymethyl)phenol;N-[4-[bis(methoxymethyl)amino]-6-(diacetylamino)-1,3,5-triazin-2-yl]-N-(methoxymethyl)acetamide;1-[5-[(3,5-diacetyl-4-hydroxyphenyl)-[4-hydroxy-3,5-bis(methoxymethyl)phenyl]methyl]-2-hydroxy-3-(methoxymethyl)phenyl]ethanone;ethane;1-hydroxy-4,5-dimethoxy-3-(methoxymethyl)imidazolidin-2-one

C118H158N12O44 — CID 158021255

About 3-acetyl-4-hydroxy-1,6-bis(methoxymethyl)-3a,6a-dihydroimidazo[4,5-d]imidazole-2,5-dione;4-[1,1-bis[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]ethyl]-2,6-bis(hydroxymethyl)phenol;4-[bis[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]methyl]-2,6-bis(hydroxymethyl)phenol;N-[4-[bis(methoxymethyl)amino]-6-(diacetylamino)-1,3,5-triazin-2-yl]-N-(methoxymethyl)acetamide;1-[5-[(3,5-diacetyl-4-hydroxyphenyl)-[4-hydroxy-3,5-bis(methoxymethyl)phenyl]methyl]-2-hydroxy-3-(methoxymethyl)phenyl]ethanone;ethane;1-hydroxy-4,5-dimethoxy-3-(methoxymethyl)imidazolidin-2-one

3-acetyl-4-hydroxy-1,6-bis(methoxymethyl)-3a,6a-dihydroimidazo[4,5-d]imidazole-2,5-dione;4-[1,1-bis[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]ethyl]-2,6-bis(hydroxymethyl)phenol;4-[bis[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]methyl]-2,6-bis(hydroxymethyl)phenol;N-[4-[bis(methoxymethyl)amino]-6-(diacetylamino)-1,3,5-triazin-2-yl]-N-(methoxymethyl)acetamide;1-[5-[(3,5-diacetyl-4-hydroxyphenyl)-[4-hydroxy-3,5-bis(methoxymethyl)phenyl]methyl]-2-hydroxy-3-(methoxymethyl)phenyl]ethanone;ethane;1-hydroxy-4,5-dimethoxy-3-(methoxymethyl)imidazolidin-2-one (PubChem CID 158021255) has the molecular formula C118H158N12O44 and a molecular weight of 2448.60 g/mol. Its IUPAC name is 3-acetyl-4-hydroxy-1,6-bis(methoxymethyl)-3a,6a-dihydroimidazo[4,5-d]imidazole-2,5-dione;4-[1,1-bis[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]ethyl]-2,6-bis(hydroxymethyl)phenol;4-[bis[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]methyl]-2,6-bis(hydroxymethyl)phenol;N-[4-[bis(methoxymethyl)amino]-6-(diacetylamino)-1,3,5-triazin-2-yl]-N-(methoxymethyl)acetamide;1-[5-[(3,5-diacetyl-4-hydroxyphenyl)-[4-hydroxy-3,5-bis(methoxymethyl)phenyl]methyl]-2-hydroxy-3-(methoxymethyl)phenyl]ethanone;ethane;1-hydroxy-4,5-dimethoxy-3-(methoxymethyl)imidazolidin-2-one.

Molecular Properties

• Compound Name: 3-acetyl-4-hydroxy-1,6-bis(methoxymethyl)-3a,6a-dihydroimidazo[4,5-d]imidazole-2,5-dione;4-[1,1-bis[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]ethyl]-2,6-bis(hydroxymethyl)phenol;4-[bis[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]methyl]-2,6-bis(hydroxymethyl)phenol;N-[4-[bis(methoxymethyl)amino]-6-(diacetylamino)-1,3,5-triazin-2-yl]-N-(methoxymethyl)acetamide;1-[5-[(3,5-diacetyl-4-hydroxyphenyl)-[4-hydroxy-3,5-bis(methoxymethyl)phenyl]methyl]-2-hydroxy-3-(methoxymethyl)phenyl]ethanone;ethane;1-hydroxy-4,5-dimethoxy-3-(methoxymethyl)imidazolidin-2-one
• PubChem CID: 158021255
• Molecular Formula: C118H158N12O44
• Molecular Weight: 2448.60 g/mol
• Exact Mass: 2447.05
• IUPAC Name: 3-acetyl-4-hydroxy-1,6-bis(methoxymethyl)-3a,6a-dihydroimidazo[4,5-d]imidazole-2,5-dione;4-[1,1-bis[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]ethyl]-2,6-bis(hydroxymethyl)phenol;4-[bis[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]methyl]-2,6-bis(hydroxymethyl)phenol;N-[4-[bis(methoxymethyl)amino]-6-(diacetylamino)-1,3,5-triazin-2-yl]-N-(methoxymethyl)acetamide;1-[5-[(3,5-diacetyl-4-hydroxyphenyl)-[4-hydroxy-3,5-bis(methoxymethyl)phenyl]methyl]-2-hydroxy-3-(methoxymethyl)phenyl]ethanone;ethane;1-hydroxy-4,5-dimethoxy-3-(methoxymethyl)imidazolidin-2-one
• SMILES: CC.CC.CC(c1cc(CO)c(O)c(CO)c1)(c1cc(CO)c(O)c(CO)c1)c1cc(CO)c(O)c(CO)c1.COCN(COC)c1nc(N(COC)C(C)=O)nc(N(C(C)=O)C(C)=O)n1.COCN1C(=O)N(O)C(OC)C1OC.COCN1C(=O)N(O)C2C1N(COC)C(=O)N2C(C)=O.COCc1cc(C(c2cc(COC)c(O)c(C(C)=O)c2)c2cc(C(C)=O)c(O)c(C(C)=O)c2)cc(COC)c1O.OCc1cc(C(c2cc(CO)c(O)c(CO)c2)c2cc(CO)c(O)c(CO)c2)cc(CO)c1O
• InChI: InChI=1S/C31H34O9.C26H30O9.C25H28O9.C15H24N6O6.C10H16N4O6.C7H14N2O5.2C2H6/c1-16(32)25-10-20(9-24(15-40-6)30(25)36)28(19-7-22(13-38-4)29(35)23(8-19)14-39-5)21-11-26(17(2)33)31(37)27(12-21)18(3)34;1-26(20-2-14(8-27)23(33)15(3-20)9-28,21-4-16(10-29)24(34)17(5-21)11-30)22-6-18(12-31)25(35)19(7-22)13-32;26-7-16-1-13(2-17(8-27)23(16)32)22(14-3-18(9-28)24(33)19(4-14)10-29)15-5-20(11-30)25(34)21(6-15)12-31;1-10(22)20(9-27-6)14-16-13(19(7-25-4)8-26-5)17-15(18-14)21(11(2)23)12(3)24;1-6(15)13-8-7(11(4-19-2)9(13)16)12(5-20-3)10(17)14(8)18;1-12-4-8-5(13-2)6(14-3)9(11)7(8)10;2*1-2/h7-12,28,35-37H,13-15H2,1-6H3;2-7,27-35H,8-13H2,1H3;1-6,22,26-34H,7-12H2;7-9H2,1-6H3;7-8,18H,4-5H2,1-3H3;5-6,11H,4H2,1-3H3;2*1-2H3
• InChIKey: FGBXEEVJNHMAES-UHFFFAOYSA-N
• XLogP: 7.79
• TPSA: 805.35 Ų
• H-Bond Donors: 23
• H-Bond Acceptors: 48
• Rotatable Bonds: 47
• Heavy Atoms: 174
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2448.60
LogP ≤ 5	7.79
H-Bond Donors ≤ 5	23
H-Bond Acceptors ≤ 10	48

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-acetyl-4-hydroxy-1,6-bis(methoxymethyl)-3a,6a-dihydroimidazo[4,5-d]imidazole-2,5-dione;4-[1,1-bis[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]ethyl]-2,6-bis(hydroxymethyl)phenol;4-[bis[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]methyl]-2,6-bis(hydroxymethyl)phenol;N-[4-[bis(methoxymethyl)amino]-6-(diacetylamino)-1,3,5-triazin-2-yl]-N-(methoxymethyl)acetamide;1-[5-[(3,5-diacetyl-4-hydroxyphenyl)-[4-hydroxy-3,5-bis(methoxymethyl)phenyl]methyl]-2-hydroxy-3-(methoxymethyl)phenyl]ethanone;ethane;1-hydroxy-4,5-dimethoxy-3-(methoxymethyl)imidazolidin-2-one?

The IUPAC name of 3-acetyl-4-hydroxy-1,6-bis(methoxymethyl)-3a,6a-dihydroimidazo[4,5-d]imidazole-2,5-dione;4-[1,1-bis[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]ethyl]-2,6-bis(hydroxymethyl)phenol;4-[bis[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]methyl]-2,6-bis(hydroxymethyl)phenol;N-[4-[bis(methoxymethyl)amino]-6-(diacetylamino)-1,3,5-triazin-2-yl]-N-(methoxymethyl)acetamide;1-[5-[(3,5-diacetyl-4-hydroxyphenyl)-[4-hydroxy-3,5-bis(methoxymethyl)phenyl]methyl]-2-hydroxy-3-(methoxymethyl)phenyl]ethanone;ethane;1-hydroxy-4,5-dimethoxy-3-(methoxymethyl)imidazolidin-2-one (CID 158021255) is 3-acetyl-4-hydroxy-1,6-bis(methoxymethyl)-3a,6a-dihydroimidazo[4,5-d]imidazole-2,5-dione;4-[1,1-bis[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]ethyl]-2,6-bis(hydroxymethyl)phenol;4-[bis[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]methyl]-2,6-bis(hydroxymethyl)phenol;N-[4-[bis(methoxymethyl)amino]-6-(diacetylamino)-1,3,5-triazin-2-yl]-N-(methoxymethyl)acetamide;1-[5-[(3,5-diacetyl-4-hydroxyphenyl)-[4-hydroxy-3,5-bis(methoxymethyl)phenyl]methyl]-2-hydroxy-3-(methoxymethyl)phenyl]ethanone;ethane;1-hydroxy-4,5-dimethoxy-3-(methoxymethyl)imidazolidin-2-one.

What is the SMILES notation for 3-acetyl-4-hydroxy-1,6-bis(methoxymethyl)-3a,6a-dihydroimidazo[4,5-d]imidazole-2,5-dione;4-[1,1-bis[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]ethyl]-2,6-bis(hydroxymethyl)phenol;4-[bis[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]methyl]-2,6-bis(hydroxymethyl)phenol;N-[4-[bis(methoxymethyl)amino]-6-(diacetylamino)-1,3,5-triazin-2-yl]-N-(methoxymethyl)acetamide;1-[5-[(3,5-diacetyl-4-hydroxyphenyl)-[4-hydroxy-3,5-bis(methoxymethyl)phenyl]methyl]-2-hydroxy-3-(methoxymethyl)phenyl]ethanone;ethane;1-hydroxy-4,5-dimethoxy-3-(methoxymethyl)imidazolidin-2-one?

The canonical SMILES for 3-acetyl-4-hydroxy-1,6-bis(methoxymethyl)-3a,6a-dihydroimidazo[4,5-d]imidazole-2,5-dione;4-[1,1-bis[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]ethyl]-2,6-bis(hydroxymethyl)phenol;4-[bis[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]methyl]-2,6-bis(hydroxymethyl)phenol;N-[4-[bis(methoxymethyl)amino]-6-(diacetylamino)-1,3,5-triazin-2-yl]-N-(methoxymethyl)acetamide;1-[5-[(3,5-diacetyl-4-hydroxyphenyl)-[4-hydroxy-3,5-bis(methoxymethyl)phenyl]methyl]-2-hydroxy-3-(methoxymethyl)phenyl]ethanone;ethane;1-hydroxy-4,5-dimethoxy-3-(methoxymethyl)imidazolidin-2-one is CC.CC.CC(c1cc(CO)c(O)c(CO)c1)(c1cc(CO)c(O)c(CO)c1)c1cc(CO)c(O)c(CO)c1.COCN(COC)c1nc(N(COC)C(C)=O)nc(N(C(C)=O)C(C)=O)n1.COCN1C(=O)N(O)C(OC)C1OC.COCN1C(=O)N(O)C2C1N(COC)C(=O)N2C(C)=O.COCc1cc(C(c2cc(COC)c(O)c(C(C)=O)c2)c2cc(C(C)=O)c(O)c(C(C)=O)c2)cc(COC)c1O.OCc1cc(C(c2cc(CO)c(O)c(CO)c2)c2cc(CO)c(O)c(CO)c2)cc(CO)c1O.

What is the InChIKey of 3-acetyl-4-hydroxy-1,6-bis(methoxymethyl)-3a,6a-dihydroimidazo[4,5-d]imidazole-2,5-dione;4-[1,1-bis[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]ethyl]-2,6-bis(hydroxymethyl)phenol;4-[bis[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]methyl]-2,6-bis(hydroxymethyl)phenol;N-[4-[bis(methoxymethyl)amino]-6-(diacetylamino)-1,3,5-triazin-2-yl]-N-(methoxymethyl)acetamide;1-[5-[(3,5-diacetyl-4-hydroxyphenyl)-[4-hydroxy-3,5-bis(methoxymethyl)phenyl]methyl]-2-hydroxy-3-(methoxymethyl)phenyl]ethanone;ethane;1-hydroxy-4,5-dimethoxy-3-(methoxymethyl)imidazolidin-2-one?

The InChIKey is FGBXEEVJNHMAES-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H34O9.C26H30O9.C25H28O9.C15H24N6O6.C10H16N4O6.C7H14N2O5.2C2H6/c1-16(32)25-10-20(9-24(15-40-6)30(25)36)28(19-7-22(13-38-4)29(35)23(8-19)14-39-5)21-11-26(17(2)33)31(37)27(12-21)18(3)34;1-26(20-2-14(8-27)23(33)15(3-20)9-28,21-4-16(10-29)24(34)17(5-21)11-30)22-6-18(12-31)25(35)19(7-22)13-32;26-7-16-1-13(2-17(8-27)23(16)32)22(14-3-18(9-28)24(33)19(4-14)10-29)15-5-20(11-30)25(34)21(6-15)12-31;1-10(22)20(9-27-6)14-16-13(19(7-25-4)8-26-5)17-15(18-14)21(11(2)23)12(3)24;1-6(15)13-8-7(11(4-19-2)9(13)16)12(5-20-3)10(17)14(8)18;1-12-4-8-5(13-2)6(14-3)9(11)7(8)10;2*1-2/h7-12,28,35-37H,13-15H2,1-6H3;2-7,27-35H,8-13H2,1H3;1-6,22,26-34H,7-12H2;7-9H2,1-6H3;7-8,18H,4-5H2,1-3H3;5-6,11H,4H2,1-3H3;2*1-2H3.

What are the key properties of 3-acetyl-4-hydroxy-1,6-bis(methoxymethyl)-3a,6a-dihydroimidazo[4,5-d]imidazole-2,5-dione;4-[1,1-bis[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]ethyl]-2,6-bis(hydroxymethyl)phenol;4-[bis[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]methyl]-2,6-bis(hydroxymethyl)phenol;N-[4-[bis(methoxymethyl)amino]-6-(diacetylamino)-1,3,5-triazin-2-yl]-N-(methoxymethyl)acetamide;1-[5-[(3,5-diacetyl-4-hydroxyphenyl)-[4-hydroxy-3,5-bis(methoxymethyl)phenyl]methyl]-2-hydroxy-3-(methoxymethyl)phenyl]ethanone;ethane;1-hydroxy-4,5-dimethoxy-3-(methoxymethyl)imidazolidin-2-one?

3-acetyl-4-hydroxy-1,6-bis(methoxymethyl)-3a,6a-dihydroimidazo[4,5-d]imidazole-2,5-dione;4-[1,1-bis[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]ethyl]-2,6-bis(hydroxymethyl)phenol;4-[bis[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]methyl]-2,6-bis(hydroxymethyl)phenol;N-[4-[bis(methoxymethyl)amino]-6-(diacetylamino)-1,3,5-triazin-2-yl]-N-(methoxymethyl)acetamide;1-[5-[(3,5-diacetyl-4-hydroxyphenyl)-[4-hydroxy-3,5-bis(methoxymethyl)phenyl]methyl]-2-hydroxy-3-(methoxymethyl)phenyl]ethanone;ethane;1-hydroxy-4,5-dimethoxy-3-(methoxymethyl)imidazolidin-2-one has a molecular weight of 2448.60 g/mol, XLogP of 7.79, 47 rotatable bonds, 23 hydrogen bond donors, and 48 hydrogen bond acceptors.

Where does this data come from?

All data for 3-acetyl-4-hydroxy-1,6-bis(methoxymethyl)-3a,6a-dihydroimidazo[4,5-d]imidazole-2,5-dione;4-[1,1-bis[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]ethyl]-2,6-bis(hydroxymethyl)phenol;4-[bis[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]methyl]-2,6-bis(hydroxymethyl)phenol;N-[4-[bis(methoxymethyl)amino]-6-(diacetylamino)-1,3,5-triazin-2-yl]-N-(methoxymethyl)acetamide;1-[5-[(3,5-diacetyl-4-hydroxyphenyl)-[4-hydroxy-3,5-bis(methoxymethyl)phenyl]methyl]-2-hydroxy-3-(methoxymethyl)phenyl]ethanone;ethane;1-hydroxy-4,5-dimethoxy-3-(methoxymethyl)imidazolidin-2-one is sourced from PubChem (CID 158021255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).