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

C16H30N4O6 — CID 22182311

IUPAC1,3,4,6-tetrakis(ethoxymethyl)-3a,6a-dihydroimidazo[4,5-d]imidazole-2,5-dione
SMILESCCOCN1C(=O)N(COCC)C2C1N(COCC)C(=O)N2COCC
InChIInChI=1S/C16H30N4O6/c1-5-23-9-17-13-14(19(15(17)21)11-25-7-3)20(12-26-8-4)16(22)18(13)10-24-6-2/h13-14H,5-12H2,1-4H3
InChIKeyGQXTVCLQZSKLQO-UHFFFAOYSA-N
MW374.44 g/mol
LogP1.09
Rot. Bonds12

About 1,3,4,6-tetrakis(ethoxymethyl)-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 (PubChem CID 22182311) has the molecular formula C16H30N4O6 and a molecular weight of 374.44 g/mol. Its IUPAC name is 1,3,4,6-tetrakis(ethoxymethyl)-3a,6a-dihydroimidazo[4,5-d]imidazole-2,5-dione.

Molecular Properties

Compound Name1,3,4,6-tetrakis(ethoxymethyl)-3a,6a-dihydroimidazo[4,5-d]imidazole-2,5-dione
PubChem CID22182311
Molecular FormulaC16H30N4O6
Molecular Weight374.44 g/mol
Exact Mass374.22
IUPAC Name1,3,4,6-tetrakis(ethoxymethyl)-3a,6a-dihydroimidazo[4,5-d]imidazole-2,5-dione
SMILESCCOCN1C(=O)N(COCC)C2C1N(COCC)C(=O)N2COCC
InChIInChI=1S/C16H30N4O6/c1-5-23-9-17-13-14(19(15(17)21)11-25-7-3)20(12-26-8-4)16(22)18(13)10-24-6-2/h13-14H,5-12H2,1-4H3
InChIKeyGQXTVCLQZSKLQO-UHFFFAOYSA-N
XLogP1.09
TPSA84.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1,3,4,6-tetrakis(ethoxymethyl)-3a,6a-dihydroimidazo[4,5-d]imidazole-2,5-dione?
The IUPAC name of 1,3,4,6-tetrakis(ethoxymethyl)-3a,6a-dihydroimidazo[4,5-d]imidazole-2,5-dione (CID 22182311) is 1,3,4,6-tetrakis(ethoxymethyl)-3a,6a-dihydroimidazo[4,5-d]imidazole-2,5-dione.
What is the SMILES notation for 1,3,4,6-tetrakis(ethoxymethyl)-3a,6a-dihydroimidazo[4,5-d]imidazole-2,5-dione?
The canonical SMILES for 1,3,4,6-tetrakis(ethoxymethyl)-3a,6a-dihydroimidazo[4,5-d]imidazole-2,5-dione is CCOCN1C(=O)N(COCC)C2C1N(COCC)C(=O)N2COCC.
What is the InChIKey of 1,3,4,6-tetrakis(ethoxymethyl)-3a,6a-dihydroimidazo[4,5-d]imidazole-2,5-dione?
The InChIKey is GQXTVCLQZSKLQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4O6/c1-5-23-9-17-13-14(19(15(17)21)11-25-7-3)20(12-26-8-4)16(22)18(13)10-24-6-2/h13-14H,5-12H2,1-4H3.
What are the key properties of 1,3,4,6-tetrakis(ethoxymethyl)-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 has a molecular weight of 374.44 g/mol, XLogP of 1.09, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,4,6-tetrakis(ethoxymethyl)-3a,6a-dihydroimidazo[4,5-d]imidazole-2,5-dione is sourced from PubChem (CID 22182311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).