4-ethyl-6,6a-dihydro-1H-imidazo[4,5-d]imidazole-2,5-dione

C6H8N4O2 — CID 91158299

IUPAC4-ethyl-6,6a-dihydro-1H-imidazo[4,5-d]imidazole-2,5-dione
SMILESCCN1C(=O)NC2NC(=O)N=C21
InChIInChI=1S/C6H8N4O2/c1-2-10-4-3(8-6(10)12)7-5(11)9-4/h3H,2H2,1H3,(H,7,11)(H,8,12)
InChIKeyAFFYDPXCZVQJJD-UHFFFAOYSA-N
MW168.16 g/mol
LogP-0.52
Rot. Bonds1

About 4-ethyl-6,6a-dihydro-1H-imidazo[4,5-d]imidazole-2,5-dione

4-ethyl-6,6a-dihydro-1H-imidazo[4,5-d]imidazole-2,5-dione (PubChem CID 91158299) has the molecular formula C6H8N4O2 and a molecular weight of 168.16 g/mol. Its IUPAC name is 4-ethyl-6,6a-dihydro-1H-imidazo[4,5-d]imidazole-2,5-dione.

Molecular Properties

Compound Name4-ethyl-6,6a-dihydro-1H-imidazo[4,5-d]imidazole-2,5-dione
PubChem CID91158299
Molecular FormulaC6H8N4O2
Molecular Weight168.16 g/mol
Exact Mass168.06
IUPAC Name4-ethyl-6,6a-dihydro-1H-imidazo[4,5-d]imidazole-2,5-dione
SMILESCCN1C(=O)NC2NC(=O)N=C21
InChIInChI=1S/C6H8N4O2/c1-2-10-4-3(8-6(10)12)7-5(11)9-4/h3H,2H2,1H3,(H,7,11)(H,8,12)
InChIKeyAFFYDPXCZVQJJD-UHFFFAOYSA-N
XLogP-0.52
TPSA73.80 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.16
LogP ≤ 5-0.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

Tetrahydro imidazo[4,5-d]imidazole-2,5-dione water
CID 129773277
1-Ethyl-4-methyl-5-selenoxohexahydroimidazo[4,5-d]imidazol-2(1h)-one
CID 175679333
CID 155814292
CID 155814292
CID 164889577
CID 164889577
3a,4-Dihydroimidazo[4,5-d]imidazole-2,5(1H,3H)-dione
CID 55286887
1-(1,1-Diaminoethyl)-5-hydrazinylideneimidazolidin-2-one
CID 69115496
4-ethyl-6,6a-dihydro-1H-imidazo[4,5-d]imidazole-2,5-dione;propane
CID 91158298
1,3-Bis[2-(2-methyl-4,5-dihydroimidazol-1-yl)ethyl]urea
CID 145851524
(4Z)-N,3-dimethyl-4-(methylcarbamoylimino)-2-oxoimidazolidine-1-carboxamide
CID 10680797
(3aS,6aS)-1,3,4,6-tetramethyl-2-(methylamino)-3a,6a-dihydroimidazo[4,5-d]imidazol-3-ium-5-one
CID 139201804
1-(C,N-dimethylcarbonimidoyl)imidazolidin-2-one
CID 145372236

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-6,6a-dihydro-1H-imidazo[4,5-d]imidazole-2,5-dione?
The IUPAC name of 4-ethyl-6,6a-dihydro-1H-imidazo[4,5-d]imidazole-2,5-dione (CID 91158299) is 4-ethyl-6,6a-dihydro-1H-imidazo[4,5-d]imidazole-2,5-dione.
What is the SMILES notation for 4-ethyl-6,6a-dihydro-1H-imidazo[4,5-d]imidazole-2,5-dione?
The canonical SMILES for 4-ethyl-6,6a-dihydro-1H-imidazo[4,5-d]imidazole-2,5-dione is CCN1C(=O)NC2NC(=O)N=C21.
What is the InChIKey of 4-ethyl-6,6a-dihydro-1H-imidazo[4,5-d]imidazole-2,5-dione?
The InChIKey is AFFYDPXCZVQJJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N4O2/c1-2-10-4-3(8-6(10)12)7-5(11)9-4/h3H,2H2,1H3,(H,7,11)(H,8,12).
What are the key properties of 4-ethyl-6,6a-dihydro-1H-imidazo[4,5-d]imidazole-2,5-dione?
4-ethyl-6,6a-dihydro-1H-imidazo[4,5-d]imidazole-2,5-dione has a molecular weight of 168.16 g/mol, XLogP of -0.52, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-6,6a-dihydro-1H-imidazo[4,5-d]imidazole-2,5-dione is sourced from PubChem (CID 91158299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).