3,3a,4,6-tetrakis(ethoxymethyl)-1,6a-dihydroimidazo[4,5-d]imidazole-2,5-dione

C16H30N4O6 — CID 67028040

IUPAC3,3a,4,6-tetrakis(ethoxymethyl)-1,6a-dihydroimidazo[4,5-d]imidazole-2,5-dione
SMILESCCOCN1C(=O)N(COCC)C2(COCC)C1NC(=O)N2COCC
InChIInChI=1S/C16H30N4O6/c1-5-23-9-16-13(17-14(21)19(16)11-25-7-3)18(10-24-6-2)15(22)20(16)12-26-8-4/h13H,5-12H2,1-4H3,(H,17,21)
InChIKeyQYDMAFWDJIVRAN-UHFFFAOYSA-N
MW374.44 g/mol
LogP0.79
Rot. Bonds12

About 3,3a,4,6-tetrakis(ethoxymethyl)-1,6a-dihydroimidazo[4,5-d]imidazole-2,5-dione

3,3a,4,6-tetrakis(ethoxymethyl)-1,6a-dihydroimidazo[4,5-d]imidazole-2,5-dione (PubChem CID 67028040) has the molecular formula C16H30N4O6 and a molecular weight of 374.44 g/mol. Its IUPAC name is 3,3a,4,6-tetrakis(ethoxymethyl)-1,6a-dihydroimidazo[4,5-d]imidazole-2,5-dione.

Molecular Properties

Compound Name3,3a,4,6-tetrakis(ethoxymethyl)-1,6a-dihydroimidazo[4,5-d]imidazole-2,5-dione
PubChem CID67028040
Molecular FormulaC16H30N4O6
Molecular Weight374.44 g/mol
Exact Mass374.22
IUPAC Name3,3a,4,6-tetrakis(ethoxymethyl)-1,6a-dihydroimidazo[4,5-d]imidazole-2,5-dione
SMILESCCOCN1C(=O)N(COCC)C2(COCC)C1NC(=O)N2COCC
InChIInChI=1S/C16H30N4O6/c1-5-23-9-16-13(17-14(21)19(16)11-25-7-3)18(10-24-6-2)15(22)20(16)12-26-8-4/h13H,5-12H2,1-4H3,(H,17,21)
InChIKeyQYDMAFWDJIVRAN-UHFFFAOYSA-N
XLogP0.79
TPSA92.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1,3,4,6-tetrakis(ethoxymethyl)-3a,6a-dihydroimidazo[4,5-d]imidazole-2,5-dione
CID 22182311
1,3-bis(ethoxymethyl)-5,5-dimethylimidazolidine-2,4-dione
CID 118434025
1,3,4,6-tetrakis(butoxymethyl)-3a,6a-dihydroimidazo[4,5-d]imidazole-2,5-dione;1,3,4,6-tetrakis(ethoxymethyl)-3a,6a-dihydroimidazo[4,5-d]imidazole-2,5-dione;1,3,4,6-tetrakis(hexoxymethyl)-3a,6a-dihydroimidazo[4,5-d]imidazole-2,5-dione;1,3,4,6-tetrakis(pentoxymethyl)-3a,6a-dihydroimidazo[4,5-d]imidazole-2,5-dione;1,3,4,6-tetrakis(propoxymethyl)-3a,6a-dihydroimidazo[4,5-d]imidazole-2,5-dione
CID 158563450
1,3-bis(ethoxymethyl)imidazolidin-2-one
CID 159426248
1-(3-ethoxypropyl)-6,6-diethyl-3-propylpiperazine-2,5-dione
CID 65178089
1,3,4,6-tetrakis(2-ethoxyethyl)-3a,6a-dihydroimidazo[4,5-d]imidazole-2,5-dione
CID 25027466
3-(3-ethoxypropyl)-5-propylimidazolidin-4-one
CID 83237865
3-(3-ethoxypropyl)-5-ethyl-5-methyl-2-phenylimidazolidin-4-one
CID 83233708
3-(ethoxymethyl)-1-methylpyrimidine-2,4-dione
CID 65367266
4,5-dibutoxy-1,3-bis(butoxymethyl)imidazolidin-2-one
CID 46928657
3,4-bis(butoxymethyl)-1,6-diethyl-3a,6a-dihydroimidazo[4,5-d]imidazole-2,5-dione
CID 58468494
1-(ethoxymethyl)-3-methylpyridin-2-one
CID 116621434

Frequently Asked Questions

What is the IUPAC name of 3,3a,4,6-tetrakis(ethoxymethyl)-1,6a-dihydroimidazo[4,5-d]imidazole-2,5-dione?
The IUPAC name of 3,3a,4,6-tetrakis(ethoxymethyl)-1,6a-dihydroimidazo[4,5-d]imidazole-2,5-dione (CID 67028040) is 3,3a,4,6-tetrakis(ethoxymethyl)-1,6a-dihydroimidazo[4,5-d]imidazole-2,5-dione.
What is the SMILES notation for 3,3a,4,6-tetrakis(ethoxymethyl)-1,6a-dihydroimidazo[4,5-d]imidazole-2,5-dione?
The canonical SMILES for 3,3a,4,6-tetrakis(ethoxymethyl)-1,6a-dihydroimidazo[4,5-d]imidazole-2,5-dione is CCOCN1C(=O)N(COCC)C2(COCC)C1NC(=O)N2COCC.
What is the InChIKey of 3,3a,4,6-tetrakis(ethoxymethyl)-1,6a-dihydroimidazo[4,5-d]imidazole-2,5-dione?
The InChIKey is QYDMAFWDJIVRAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4O6/c1-5-23-9-16-13(17-14(21)19(16)11-25-7-3)18(10-24-6-2)15(22)20(16)12-26-8-4/h13H,5-12H2,1-4H3,(H,17,21).
What are the key properties of 3,3a,4,6-tetrakis(ethoxymethyl)-1,6a-dihydroimidazo[4,5-d]imidazole-2,5-dione?
3,3a,4,6-tetrakis(ethoxymethyl)-1,6a-dihydroimidazo[4,5-d]imidazole-2,5-dione has a molecular weight of 374.44 g/mol, XLogP of 0.79, 12 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3a,4,6-tetrakis(ethoxymethyl)-1,6a-dihydroimidazo[4,5-d]imidazole-2,5-dione is sourced from PubChem (CID 67028040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).