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

C12H18N4O4 — CID 644680

IUPAC4,6-diacetyl-1,3-diethyl-3a,6a-dihydroimidazo[4,5-d]imidazole-2,5-dione
SMILESCCN1C(=O)N(CC)C2C1N(C(C)=O)C(=O)N2C(C)=O
InChIInChI=1S/C12H18N4O4/c1-5-13-9-10(14(6-2)11(13)19)16(8(4)18)12(20)15(9)7(3)17/h9-10H,5-6H2,1-4H3
InChIKeyHPGVPEBGABNICS-UHFFFAOYSA-N
MW282.30 g/mol
LogP0.25
Rot. Bonds2

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

4,6-diacetyl-1,3-diethyl-3a,6a-dihydroimidazo[4,5-d]imidazole-2,5-dione (PubChem CID 644680) has the molecular formula C12H18N4O4 and a molecular weight of 282.30 g/mol. Its IUPAC name is 4,6-diacetyl-1,3-diethyl-3a,6a-dihydroimidazo[4,5-d]imidazole-2,5-dione.

Molecular Properties

Compound Name4,6-diacetyl-1,3-diethyl-3a,6a-dihydroimidazo[4,5-d]imidazole-2,5-dione
PubChem CID644680
Molecular FormulaC12H18N4O4
Molecular Weight282.30 g/mol
Exact Mass282.13
IUPAC Name4,6-diacetyl-1,3-diethyl-3a,6a-dihydroimidazo[4,5-d]imidazole-2,5-dione
SMILESCCN1C(=O)N(CC)C2C1N(C(C)=O)C(=O)N2C(C)=O
InChIInChI=1S/C12H18N4O4/c1-5-13-9-10(14(6-2)11(13)19)16(8(4)18)12(20)15(9)7(3)17/h9-10H,5-6H2,1-4H3
InChIKeyHPGVPEBGABNICS-UHFFFAOYSA-N
XLogP0.25
TPSA81.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 50.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,6-diacetyl-1,3-diethyl-3a,6a-dihydroimidazo[4,5-d]imidazole-2,5-dione?
The IUPAC name of 4,6-diacetyl-1,3-diethyl-3a,6a-dihydroimidazo[4,5-d]imidazole-2,5-dione (CID 644680) is 4,6-diacetyl-1,3-diethyl-3a,6a-dihydroimidazo[4,5-d]imidazole-2,5-dione.
What is the SMILES notation for 4,6-diacetyl-1,3-diethyl-3a,6a-dihydroimidazo[4,5-d]imidazole-2,5-dione?
The canonical SMILES for 4,6-diacetyl-1,3-diethyl-3a,6a-dihydroimidazo[4,5-d]imidazole-2,5-dione is CCN1C(=O)N(CC)C2C1N(C(C)=O)C(=O)N2C(C)=O.
What is the InChIKey of 4,6-diacetyl-1,3-diethyl-3a,6a-dihydroimidazo[4,5-d]imidazole-2,5-dione?
The InChIKey is HPGVPEBGABNICS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O4/c1-5-13-9-10(14(6-2)11(13)19)16(8(4)18)12(20)15(9)7(3)17/h9-10H,5-6H2,1-4H3.
What are the key properties of 4,6-diacetyl-1,3-diethyl-3a,6a-dihydroimidazo[4,5-d]imidazole-2,5-dione?
4,6-diacetyl-1,3-diethyl-3a,6a-dihydroimidazo[4,5-d]imidazole-2,5-dione has a molecular weight of 282.30 g/mol, XLogP of 0.25, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-diacetyl-1,3-diethyl-3a,6a-dihydroimidazo[4,5-d]imidazole-2,5-dione is sourced from PubChem (CID 644680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).