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

C10H18N4O2 — CID 708400

IUPAC3,4-diethyl-1,6-dimethyl-3a,6a-dihydroimidazo[4,5-d]imidazole-2,5-dione
SMILESCCN1C(=O)N(C)C2C1N(CC)C(=O)N2C
InChIInChI=1S/C10H18N4O2/c1-5-13-8-7(11(3)9(13)15)12(4)10(16)14(8)6-2/h7-8H,5-6H2,1-4H3
InChIKeyXSFSYYOZVAYMLW-UHFFFAOYSA-N
MW226.28 g/mol
LogP0.41
Rot. Bonds2

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

3,4-diethyl-1,6-dimethyl-3a,6a-dihydroimidazo[4,5-d]imidazole-2,5-dione (PubChem CID 708400) has the molecular formula C10H18N4O2 and a molecular weight of 226.28 g/mol. Its IUPAC name is 3,4-diethyl-1,6-dimethyl-3a,6a-dihydroimidazo[4,5-d]imidazole-2,5-dione.

Molecular Properties

Compound Name3,4-diethyl-1,6-dimethyl-3a,6a-dihydroimidazo[4,5-d]imidazole-2,5-dione
PubChem CID708400
Molecular FormulaC10H18N4O2
Molecular Weight226.28 g/mol
Exact Mass226.14
IUPAC Name3,4-diethyl-1,6-dimethyl-3a,6a-dihydroimidazo[4,5-d]imidazole-2,5-dione
SMILESCCN1C(=O)N(C)C2C1N(CC)C(=O)N2C
InChIInChI=1S/C10H18N4O2/c1-5-13-8-7(11(3)9(13)15)12(4)10(16)14(8)6-2/h7-8H,5-6H2,1-4H3
InChIKeyXSFSYYOZVAYMLW-UHFFFAOYSA-N
XLogP0.41
TPSA47.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 50.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,4-diethyl-1,6-dimethyl-3a,6a-dihydroimidazo[4,5-d]imidazole-2,5-dione?
The IUPAC name of 3,4-diethyl-1,6-dimethyl-3a,6a-dihydroimidazo[4,5-d]imidazole-2,5-dione (CID 708400) is 3,4-diethyl-1,6-dimethyl-3a,6a-dihydroimidazo[4,5-d]imidazole-2,5-dione.
What is the SMILES notation for 3,4-diethyl-1,6-dimethyl-3a,6a-dihydroimidazo[4,5-d]imidazole-2,5-dione?
The canonical SMILES for 3,4-diethyl-1,6-dimethyl-3a,6a-dihydroimidazo[4,5-d]imidazole-2,5-dione is CCN1C(=O)N(C)C2C1N(CC)C(=O)N2C.
What is the InChIKey of 3,4-diethyl-1,6-dimethyl-3a,6a-dihydroimidazo[4,5-d]imidazole-2,5-dione?
The InChIKey is XSFSYYOZVAYMLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O2/c1-5-13-8-7(11(3)9(13)15)12(4)10(16)14(8)6-2/h7-8H,5-6H2,1-4H3.
What are the key properties of 3,4-diethyl-1,6-dimethyl-3a,6a-dihydroimidazo[4,5-d]imidazole-2,5-dione?
3,4-diethyl-1,6-dimethyl-3a,6a-dihydroimidazo[4,5-d]imidazole-2,5-dione has a molecular weight of 226.28 g/mol, XLogP of 0.41, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-diethyl-1,6-dimethyl-3a,6a-dihydroimidazo[4,5-d]imidazole-2,5-dione is sourced from PubChem (CID 708400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).