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

C10H18N4O2 — CID 2835836

IUPAC3,6-diethyl-1,4-dimethyl-3a,6a-dihydroimidazo[4,5-d]imidazole-2,5-dione
SMILESCCN1C(=O)N(C)C2C1N(C)C(=O)N2CC
InChIInChI=1S/C10H18N4O2/c1-5-13-7-8(12(4)9(13)15)14(6-2)10(16)11(7)3/h7-8H,5-6H2,1-4H3
InChIKeyOYMJBLPBWFQYBE-UHFFFAOYSA-N
MW226.28 g/mol
LogP0.41
Rot. Bonds2

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

3,6-diethyl-1,4-dimethyl-3a,6a-dihydroimidazo[4,5-d]imidazole-2,5-dione (PubChem CID 2835836) has the molecular formula C10H18N4O2 and a molecular weight of 226.28 g/mol. Its IUPAC name is 3,6-diethyl-1,4-dimethyl-3a,6a-dihydroimidazo[4,5-d]imidazole-2,5-dione.

Molecular Properties

Compound Name3,6-diethyl-1,4-dimethyl-3a,6a-dihydroimidazo[4,5-d]imidazole-2,5-dione
PubChem CID2835836
Molecular FormulaC10H18N4O2
Molecular Weight226.28 g/mol
Exact Mass226.14
IUPAC Name3,6-diethyl-1,4-dimethyl-3a,6a-dihydroimidazo[4,5-d]imidazole-2,5-dione
SMILESCCN1C(=O)N(C)C2C1N(C)C(=O)N2CC
InChIInChI=1S/C10H18N4O2/c1-5-13-7-8(12(4)9(13)15)14(6-2)10(16)11(7)3/h7-8H,5-6H2,1-4H3
InChIKeyOYMJBLPBWFQYBE-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 3,6-diethyl-1,4-dimethyl-3a,6a-dihydroimidazo[4,5-d]imidazole-2,5-dione?
The IUPAC name of 3,6-diethyl-1,4-dimethyl-3a,6a-dihydroimidazo[4,5-d]imidazole-2,5-dione (CID 2835836) is 3,6-diethyl-1,4-dimethyl-3a,6a-dihydroimidazo[4,5-d]imidazole-2,5-dione.
What is the SMILES notation for 3,6-diethyl-1,4-dimethyl-3a,6a-dihydroimidazo[4,5-d]imidazole-2,5-dione?
The canonical SMILES for 3,6-diethyl-1,4-dimethyl-3a,6a-dihydroimidazo[4,5-d]imidazole-2,5-dione is CCN1C(=O)N(C)C2C1N(C)C(=O)N2CC.
What is the InChIKey of 3,6-diethyl-1,4-dimethyl-3a,6a-dihydroimidazo[4,5-d]imidazole-2,5-dione?
The InChIKey is OYMJBLPBWFQYBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O2/c1-5-13-7-8(12(4)9(13)15)14(6-2)10(16)11(7)3/h7-8H,5-6H2,1-4H3.
What are the key properties of 3,6-diethyl-1,4-dimethyl-3a,6a-dihydroimidazo[4,5-d]imidazole-2,5-dione?
3,6-diethyl-1,4-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 3,6-diethyl-1,4-dimethyl-3a,6a-dihydroimidazo[4,5-d]imidazole-2,5-dione is sourced from PubChem (CID 2835836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).