1,3,4,6-tetraethyl-3a,6a-dihydroimidazo[4,5-d]imidazole-2,5-dione

C12H22N4O2 — CID 826867

IUPAC1,3,4,6-tetraethyl-3a,6a-dihydroimidazo[4,5-d]imidazole-2,5-dione
SMILESCCN1C(=O)N(CC)C2C1N(CC)C(=O)N2CC
InChIInChI=1S/C12H22N4O2/c1-5-13-9-10(15(7-3)11(13)17)16(8-4)12(18)14(9)6-2/h9-10H,5-8H2,1-4H3
InChIKeyGQQNHTGDXFWLHO-UHFFFAOYSA-N
MW254.33 g/mol
LogP1.19
Rot. Bonds4

About 1,3,4,6-tetraethyl-3a,6a-dihydroimidazo[4,5-d]imidazole-2,5-dione

1,3,4,6-tetraethyl-3a,6a-dihydroimidazo[4,5-d]imidazole-2,5-dione (PubChem CID 826867) has the molecular formula C12H22N4O2 and a molecular weight of 254.33 g/mol. Its IUPAC name is 1,3,4,6-tetraethyl-3a,6a-dihydroimidazo[4,5-d]imidazole-2,5-dione.

Molecular Properties

Compound Name1,3,4,6-tetraethyl-3a,6a-dihydroimidazo[4,5-d]imidazole-2,5-dione
PubChem CID826867
Molecular FormulaC12H22N4O2
Molecular Weight254.33 g/mol
Exact Mass254.17
IUPAC Name1,3,4,6-tetraethyl-3a,6a-dihydroimidazo[4,5-d]imidazole-2,5-dione
SMILESCCN1C(=O)N(CC)C2C1N(CC)C(=O)N2CC
InChIInChI=1S/C12H22N4O2/c1-5-13-9-10(15(7-3)11(13)17)16(8-4)12(18)14(9)6-2/h9-10H,5-8H2,1-4H3
InChIKeyGQQNHTGDXFWLHO-UHFFFAOYSA-N
XLogP1.19
TPSA47.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,3,4,6-tetraethyl-3a,6a-dihydroimidazo[4,5-d]imidazole-2,5-dione?
The IUPAC name of 1,3,4,6-tetraethyl-3a,6a-dihydroimidazo[4,5-d]imidazole-2,5-dione (CID 826867) is 1,3,4,6-tetraethyl-3a,6a-dihydroimidazo[4,5-d]imidazole-2,5-dione.
What is the SMILES notation for 1,3,4,6-tetraethyl-3a,6a-dihydroimidazo[4,5-d]imidazole-2,5-dione?
The canonical SMILES for 1,3,4,6-tetraethyl-3a,6a-dihydroimidazo[4,5-d]imidazole-2,5-dione is CCN1C(=O)N(CC)C2C1N(CC)C(=O)N2CC.
What is the InChIKey of 1,3,4,6-tetraethyl-3a,6a-dihydroimidazo[4,5-d]imidazole-2,5-dione?
The InChIKey is GQQNHTGDXFWLHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O2/c1-5-13-9-10(15(7-3)11(13)17)16(8-4)12(18)14(9)6-2/h9-10H,5-8H2,1-4H3.
What are the key properties of 1,3,4,6-tetraethyl-3a,6a-dihydroimidazo[4,5-d]imidazole-2,5-dione?
1,3,4,6-tetraethyl-3a,6a-dihydroimidazo[4,5-d]imidazole-2,5-dione has a molecular weight of 254.33 g/mol, XLogP of 1.19, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,4,6-tetraethyl-3a,6a-dihydroimidazo[4,5-d]imidazole-2,5-dione is sourced from PubChem (CID 826867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).