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

C20H38N4O6 — CID 25027466

IUPAC1,3,4,6-tetrakis(2-ethoxyethyl)-3a,6a-dihydroimidazo[4,5-d]imidazole-2,5-dione
SMILESCCOCCN1C(=O)N(CCOCC)C2C1N(CCOCC)C(=O)N2CCOCC
InChIInChI=1S/C20H38N4O6/c1-5-27-13-9-21-17-18(23(19(21)25)11-15-29-7-3)24(12-16-30-8-4)20(26)22(17)10-14-28-6-2/h17-18H,5-16H2,1-4H3
InChIKeyZXUSCCIGYRWMKQ-UHFFFAOYSA-N
MW430.55 g/mol
LogP1.26
Rot. Bonds16

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

1,3,4,6-tetrakis(2-ethoxyethyl)-3a,6a-dihydroimidazo[4,5-d]imidazole-2,5-dione (PubChem CID 25027466) has the molecular formula C20H38N4O6 and a molecular weight of 430.55 g/mol. Its IUPAC name is 1,3,4,6-tetrakis(2-ethoxyethyl)-3a,6a-dihydroimidazo[4,5-d]imidazole-2,5-dione.

Molecular Properties

Compound Name1,3,4,6-tetrakis(2-ethoxyethyl)-3a,6a-dihydroimidazo[4,5-d]imidazole-2,5-dione
PubChem CID25027466
Molecular FormulaC20H38N4O6
Molecular Weight430.55 g/mol
Exact Mass430.28
IUPAC Name1,3,4,6-tetrakis(2-ethoxyethyl)-3a,6a-dihydroimidazo[4,5-d]imidazole-2,5-dione
SMILESCCOCCN1C(=O)N(CCOCC)C2C1N(CCOCC)C(=O)N2CCOCC
InChIInChI=1S/C20H38N4O6/c1-5-27-13-9-21-17-18(23(19(21)25)11-15-29-7-3)24(12-16-30-8-4)20(26)22(17)10-14-28-6-2/h17-18H,5-16H2,1-4H3
InChIKeyZXUSCCIGYRWMKQ-UHFFFAOYSA-N
XLogP1.26
TPSA84.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds16
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.55
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,3,4,6-tetrakis(2-ethoxyethyl)-3a,6a-dihydroimidazo[4,5-d]imidazole-2,5-dione?
The IUPAC name of 1,3,4,6-tetrakis(2-ethoxyethyl)-3a,6a-dihydroimidazo[4,5-d]imidazole-2,5-dione (CID 25027466) is 1,3,4,6-tetrakis(2-ethoxyethyl)-3a,6a-dihydroimidazo[4,5-d]imidazole-2,5-dione.
What is the SMILES notation for 1,3,4,6-tetrakis(2-ethoxyethyl)-3a,6a-dihydroimidazo[4,5-d]imidazole-2,5-dione?
The canonical SMILES for 1,3,4,6-tetrakis(2-ethoxyethyl)-3a,6a-dihydroimidazo[4,5-d]imidazole-2,5-dione is CCOCCN1C(=O)N(CCOCC)C2C1N(CCOCC)C(=O)N2CCOCC.
What is the InChIKey of 1,3,4,6-tetrakis(2-ethoxyethyl)-3a,6a-dihydroimidazo[4,5-d]imidazole-2,5-dione?
The InChIKey is ZXUSCCIGYRWMKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H38N4O6/c1-5-27-13-9-21-17-18(23(19(21)25)11-15-29-7-3)24(12-16-30-8-4)20(26)22(17)10-14-28-6-2/h17-18H,5-16H2,1-4H3.
What are the key properties of 1,3,4,6-tetrakis(2-ethoxyethyl)-3a,6a-dihydroimidazo[4,5-d]imidazole-2,5-dione?
1,3,4,6-tetrakis(2-ethoxyethyl)-3a,6a-dihydroimidazo[4,5-d]imidazole-2,5-dione has a molecular weight of 430.55 g/mol, XLogP of 1.26, 16 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(2-ethoxyethyl)-3a,6a-dihydroimidazo[4,5-d]imidazole-2,5-dione is sourced from PubChem (CID 25027466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).