3a,6a-diphenyl-1,3,4,6-tetrahydroimidazo[4,5-d]imidazole-2,5-dione

C16H14N4O2 — CID 21237

IUPAC3a,6a-diphenyl-1,3,4,6-tetrahydroimidazo[4,5-d]imidazole-2,5-dione
SMILESO=C1NC2(c3ccccc3)NC(=O)NC2(c2ccccc2)N1
InChIInChI=1S/C16H14N4O2/c21-13-17-15(11-7-3-1-4-8-11)16(19-13,20-14(22)18-15)12-9-5-2-6-10-12/h1-10H,(H2,17,19,21)(H2,18,20,22)
InChIKeyWUDVGTHXCLJVJN-UHFFFAOYSA-N
MW294.31 g/mol
LogP1.32
Rot. Bonds2

About 3a,6a-diphenyl-1,3,4,6-tetrahydroimidazo[4,5-d]imidazole-2,5-dione

3a,6a-diphenyl-1,3,4,6-tetrahydroimidazo[4,5-d]imidazole-2,5-dione (PubChem CID 21237) has the molecular formula C16H14N4O2 and a molecular weight of 294.31 g/mol. Its IUPAC name is 3a,6a-diphenyl-1,3,4,6-tetrahydroimidazo[4,5-d]imidazole-2,5-dione.

Molecular Properties

Compound Name3a,6a-diphenyl-1,3,4,6-tetrahydroimidazo[4,5-d]imidazole-2,5-dione
PubChem CID21237
Molecular FormulaC16H14N4O2
Molecular Weight294.31 g/mol
Exact Mass294.11
IUPAC Name3a,6a-diphenyl-1,3,4,6-tetrahydroimidazo[4,5-d]imidazole-2,5-dione
SMILESO=C1NC2(c3ccccc3)NC(=O)NC2(c2ccccc2)N1
InChIInChI=1S/C16H14N4O2/c21-13-17-15(11-7-3-1-4-8-11)16(19-13,20-14(22)18-15)12-9-5-2-6-10-12/h1-10H,(H2,17,19,21)(H2,18,20,22)
InChIKeyWUDVGTHXCLJVJN-UHFFFAOYSA-N
XLogP1.32
TPSA82.26 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 51.32
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3a,6a-diphenyl-1,3,4,6-tetrahydroimidazo[4,5-d]imidazole-2,5-dione?
The IUPAC name of 3a,6a-diphenyl-1,3,4,6-tetrahydroimidazo[4,5-d]imidazole-2,5-dione (CID 21237) is 3a,6a-diphenyl-1,3,4,6-tetrahydroimidazo[4,5-d]imidazole-2,5-dione.
What is the SMILES notation for 3a,6a-diphenyl-1,3,4,6-tetrahydroimidazo[4,5-d]imidazole-2,5-dione?
The canonical SMILES for 3a,6a-diphenyl-1,3,4,6-tetrahydroimidazo[4,5-d]imidazole-2,5-dione is O=C1NC2(c3ccccc3)NC(=O)NC2(c2ccccc2)N1.
What is the InChIKey of 3a,6a-diphenyl-1,3,4,6-tetrahydroimidazo[4,5-d]imidazole-2,5-dione?
The InChIKey is WUDVGTHXCLJVJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O2/c21-13-17-15(11-7-3-1-4-8-11)16(19-13,20-14(22)18-15)12-9-5-2-6-10-12/h1-10H,(H2,17,19,21)(H2,18,20,22).
What are the key properties of 3a,6a-diphenyl-1,3,4,6-tetrahydroimidazo[4,5-d]imidazole-2,5-dione?
3a,6a-diphenyl-1,3,4,6-tetrahydroimidazo[4,5-d]imidazole-2,5-dione has a molecular weight of 294.31 g/mol, XLogP of 1.32, 2 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3a,6a-diphenyl-1,3,4,6-tetrahydroimidazo[4,5-d]imidazole-2,5-dione is sourced from PubChem (CID 21237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).