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

C10H14N4O4 — CID 645931

IUPAC3,4-diacetyl-1,6-dimethyl-3a,6a-dihydroimidazo[4,5-d]imidazole-2,5-dione
SMILESCC(=O)N1C(=O)N(C)C2C1N(C(C)=O)C(=O)N2C
InChIInChI=1S/C10H14N4O4/c1-5(15)13-8-7(11(3)9(13)17)12(4)10(18)14(8)6(2)16/h7-8H,1-4H3
InChIKeyHXQWLCLDEMCFDU-UHFFFAOYSA-N
MW254.25 g/mol
LogP-0.53
Rot. Bonds

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

3,4-diacetyl-1,6-dimethyl-3a,6a-dihydroimidazo[4,5-d]imidazole-2,5-dione (PubChem CID 645931) has the molecular formula C10H14N4O4 and a molecular weight of 254.25 g/mol. Its IUPAC name is 3,4-diacetyl-1,6-dimethyl-3a,6a-dihydroimidazo[4,5-d]imidazole-2,5-dione.

Molecular Properties

Compound Name3,4-diacetyl-1,6-dimethyl-3a,6a-dihydroimidazo[4,5-d]imidazole-2,5-dione
PubChem CID645931
Molecular FormulaC10H14N4O4
Molecular Weight254.25 g/mol
Exact Mass254.10
IUPAC Name3,4-diacetyl-1,6-dimethyl-3a,6a-dihydroimidazo[4,5-d]imidazole-2,5-dione
SMILESCC(=O)N1C(=O)N(C)C2C1N(C(C)=O)C(=O)N2C
InChIInChI=1S/C10H14N4O4/c1-5(15)13-8-7(11(3)9(13)17)12(4)10(18)14(8)6(2)16/h7-8H,1-4H3
InChIKeyHXQWLCLDEMCFDU-UHFFFAOYSA-N
XLogP-0.53
TPSA81.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.25
LogP ≤ 5-0.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,4-diacetyl-1,6-dimethyl-3a,6a-dihydroimidazo[4,5-d]imidazole-2,5-dione?
The IUPAC name of 3,4-diacetyl-1,6-dimethyl-3a,6a-dihydroimidazo[4,5-d]imidazole-2,5-dione (CID 645931) is 3,4-diacetyl-1,6-dimethyl-3a,6a-dihydroimidazo[4,5-d]imidazole-2,5-dione.
What is the SMILES notation for 3,4-diacetyl-1,6-dimethyl-3a,6a-dihydroimidazo[4,5-d]imidazole-2,5-dione?
The canonical SMILES for 3,4-diacetyl-1,6-dimethyl-3a,6a-dihydroimidazo[4,5-d]imidazole-2,5-dione is CC(=O)N1C(=O)N(C)C2C1N(C(C)=O)C(=O)N2C.
What is the InChIKey of 3,4-diacetyl-1,6-dimethyl-3a,6a-dihydroimidazo[4,5-d]imidazole-2,5-dione?
The InChIKey is HXQWLCLDEMCFDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O4/c1-5(15)13-8-7(11(3)9(13)17)12(4)10(18)14(8)6(2)16/h7-8H,1-4H3.
What are the key properties of 3,4-diacetyl-1,6-dimethyl-3a,6a-dihydroimidazo[4,5-d]imidazole-2,5-dione?
3,4-diacetyl-1,6-dimethyl-3a,6a-dihydroimidazo[4,5-d]imidazole-2,5-dione has a molecular weight of 254.25 g/mol, XLogP of -0.53, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-diacetyl-1,6-dimethyl-3a,6a-dihydroimidazo[4,5-d]imidazole-2,5-dione is sourced from PubChem (CID 645931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).