4-(1-hydroxy-2-methylpropan-2-yl)-3,3a,6,6a-tetrahydro-1H-imidazo[4,5-d]imidazole-2,5-dione

C8H14N4O3 — CID 3153443

IUPAC4-(1-hydroxy-2-methylpropan-2-yl)-3,3a,6,6a-tetrahydro-1H-imidazo[4,5-d]imidazole-2,5-dione
SMILESCC(C)(CO)N1C(=O)NC2NC(=O)NC21
InChIInChI=1S/C8H14N4O3/c1-8(2,3-13)12-5-4(10-7(12)15)9-6(14)11-5/h4-5,13H,3H2,1-2H3,(H,10,15)(H2,9,11,14)
InChIKeyCHINQLIDNHMXPU-UHFFFAOYSA-N
MW214.22 g/mol
LogP-1.25
Rot. Bonds2

About 4-(1-hydroxy-2-methylpropan-2-yl)-3,3a,6,6a-tetrahydro-1H-imidazo[4,5-d]imidazole-2,5-dione

4-(1-hydroxy-2-methylpropan-2-yl)-3,3a,6,6a-tetrahydro-1H-imidazo[4,5-d]imidazole-2,5-dione (PubChem CID 3153443) has the molecular formula C8H14N4O3 and a molecular weight of 214.22 g/mol. Its IUPAC name is 4-(1-hydroxy-2-methylpropan-2-yl)-3,3a,6,6a-tetrahydro-1H-imidazo[4,5-d]imidazole-2,5-dione.

Molecular Properties

Compound Name4-(1-hydroxy-2-methylpropan-2-yl)-3,3a,6,6a-tetrahydro-1H-imidazo[4,5-d]imidazole-2,5-dione
PubChem CID3153443
Molecular FormulaC8H14N4O3
Molecular Weight214.22 g/mol
Exact Mass214.11
IUPAC Name4-(1-hydroxy-2-methylpropan-2-yl)-3,3a,6,6a-tetrahydro-1H-imidazo[4,5-d]imidazole-2,5-dione
SMILESCC(C)(CO)N1C(=O)NC2NC(=O)NC21
InChIInChI=1S/C8H14N4O3/c1-8(2,3-13)12-5-4(10-7(12)15)9-6(14)11-5/h4-5,13H,3H2,1-2H3,(H,10,15)(H2,9,11,14)
InChIKeyCHINQLIDNHMXPU-UHFFFAOYSA-N
XLogP-1.25
TPSA93.70 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 5-1.25
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(1-hydroxy-2-methylpropan-2-yl)-3,3a,6,6a-tetrahydro-1H-imidazo[4,5-d]imidazole-2,5-dione?
The IUPAC name of 4-(1-hydroxy-2-methylpropan-2-yl)-3,3a,6,6a-tetrahydro-1H-imidazo[4,5-d]imidazole-2,5-dione (CID 3153443) is 4-(1-hydroxy-2-methylpropan-2-yl)-3,3a,6,6a-tetrahydro-1H-imidazo[4,5-d]imidazole-2,5-dione.
What is the SMILES notation for 4-(1-hydroxy-2-methylpropan-2-yl)-3,3a,6,6a-tetrahydro-1H-imidazo[4,5-d]imidazole-2,5-dione?
The canonical SMILES for 4-(1-hydroxy-2-methylpropan-2-yl)-3,3a,6,6a-tetrahydro-1H-imidazo[4,5-d]imidazole-2,5-dione is CC(C)(CO)N1C(=O)NC2NC(=O)NC21.
What is the InChIKey of 4-(1-hydroxy-2-methylpropan-2-yl)-3,3a,6,6a-tetrahydro-1H-imidazo[4,5-d]imidazole-2,5-dione?
The InChIKey is CHINQLIDNHMXPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O3/c1-8(2,3-13)12-5-4(10-7(12)15)9-6(14)11-5/h4-5,13H,3H2,1-2H3,(H,10,15)(H2,9,11,14).
What are the key properties of 4-(1-hydroxy-2-methylpropan-2-yl)-3,3a,6,6a-tetrahydro-1H-imidazo[4,5-d]imidazole-2,5-dione?
4-(1-hydroxy-2-methylpropan-2-yl)-3,3a,6,6a-tetrahydro-1H-imidazo[4,5-d]imidazole-2,5-dione has a molecular weight of 214.22 g/mol, XLogP of -1.25, 2 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-hydroxy-2-methylpropan-2-yl)-3,3a,6,6a-tetrahydro-1H-imidazo[4,5-d]imidazole-2,5-dione is sourced from PubChem (CID 3153443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).