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

C9H16N4O2 — CID 91158298

IUPAC4-ethyl-6,6a-dihydro-1H-imidazo[4,5-d]imidazole-2,5-dione;propane
SMILESCCC.CCN1C(=O)NC2NC(=O)N=C21
InChIInChI=1S/C6H8N4O2.C3H8/c1-2-10-4-3(8-6(10)12)7-5(11)9-4;1-3-2/h3H,2H2,1H3,(H,7,11)(H,8,12);3H2,1-2H3
InChIKeyDJBXOEPXFHPLQA-UHFFFAOYSA-N
MW212.25 g/mol
LogP0.90
Rot. Bonds1

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

4-ethyl-6,6a-dihydro-1H-imidazo[4,5-d]imidazole-2,5-dione;propane (PubChem CID 91158298) has the molecular formula C9H16N4O2 and a molecular weight of 212.25 g/mol. Its IUPAC name is 4-ethyl-6,6a-dihydro-1H-imidazo[4,5-d]imidazole-2,5-dione;propane.

Molecular Properties

Compound Name4-ethyl-6,6a-dihydro-1H-imidazo[4,5-d]imidazole-2,5-dione;propane
PubChem CID91158298
Molecular FormulaC9H16N4O2
Molecular Weight212.25 g/mol
Exact Mass212.13
IUPAC Name4-ethyl-6,6a-dihydro-1H-imidazo[4,5-d]imidazole-2,5-dione;propane
SMILESCCC.CCN1C(=O)NC2NC(=O)N=C21
InChIInChI=1S/C6H8N4O2.C3H8/c1-2-10-4-3(8-6(10)12)7-5(11)9-4;1-3-2/h3H,2H2,1H3,(H,7,11)(H,8,12);3H2,1-2H3
InChIKeyDJBXOEPXFHPLQA-UHFFFAOYSA-N
XLogP0.90
TPSA73.80 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1,3-Bis[2-(2-methyl-4,5-dihydroimidazol-1-yl)ethyl]urea
CID 145851524
1,3-Bis[3-(2-methyl-4,5-dihydroimidazol-1-yl)propyl]urea
CID 145851527
N-[2-(dimethylamino)ethyl]-2-methyl-4,5-dihydroimidazole-1-carboxamide
CID 158798733
(4Z)-N,3-dimethyl-4-(methylcarbamoylimino)-2-oxoimidazolidine-1-carboxamide
CID 10680797
4-ethyl-6,6a-dihydro-1H-imidazo[4,5-d]imidazole-2,5-dione
CID 91158299
(5R)-1-tert-butyl-5-(tert-butylamino)-4-tert-butyliminoimidazolidin-2-one
CID 135937500
(5S)-1-tert-butyl-5-(tert-butylamino)-4-tert-butyliminoimidazolidin-2-one
CID 135937501
4,6-Dimethyl-5-(propylamino)-1,3,3a,6a-tetrahydroimidazo[4,5-d]imidazol-4-ium-2-one
CID 137530292
(3aS,6aS)-1,3,4,6-tetramethyl-2-(methylamino)-3a,6a-dihydroimidazo[4,5-d]imidazol-3-ium-5-one
CID 139201804

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-6,6a-dihydro-1H-imidazo[4,5-d]imidazole-2,5-dione;propane?
The IUPAC name of 4-ethyl-6,6a-dihydro-1H-imidazo[4,5-d]imidazole-2,5-dione;propane (CID 91158298) is 4-ethyl-6,6a-dihydro-1H-imidazo[4,5-d]imidazole-2,5-dione;propane.
What is the SMILES notation for 4-ethyl-6,6a-dihydro-1H-imidazo[4,5-d]imidazole-2,5-dione;propane?
The canonical SMILES for 4-ethyl-6,6a-dihydro-1H-imidazo[4,5-d]imidazole-2,5-dione;propane is CCC.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;propane?
The InChIKey is DJBXOEPXFHPLQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N4O2.C3H8/c1-2-10-4-3(8-6(10)12)7-5(11)9-4;1-3-2/h3H,2H2,1H3,(H,7,11)(H,8,12);3H2,1-2H3.
What are the key properties of 4-ethyl-6,6a-dihydro-1H-imidazo[4,5-d]imidazole-2,5-dione;propane?
4-ethyl-6,6a-dihydro-1H-imidazo[4,5-d]imidazole-2,5-dione;propane has a molecular weight of 212.25 g/mol, XLogP of 0.90, 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;propane is sourced from PubChem (CID 91158298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).