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

C16H14N4O2 — CID 3797290

IUPAC3,6-diphenyl-1,3a,4,6a-tetrahydroimidazo[4,5-d]imidazole-2,5-dione
SMILESO=C1NC2C(NC(=O)N2c2ccccc2)N1c1ccccc1
InChIInChI=1S/C16H14N4O2/c21-15-18-14-13(19(15)11-7-3-1-4-8-11)17-16(22)20(14)12-9-5-2-6-10-12/h1-10,13-14H,(H,17,22)(H,18,21)
InChIKeyUGSQRUCCHOPIBC-UHFFFAOYSA-N
MW294.31 g/mol
LogP2.10
Rot. Bonds2

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

3,6-diphenyl-1,3a,4,6a-tetrahydroimidazo[4,5-d]imidazole-2,5-dione (PubChem CID 3797290) has the molecular formula C16H14N4O2 and a molecular weight of 294.31 g/mol. Its IUPAC name is 3,6-diphenyl-1,3a,4,6a-tetrahydroimidazo[4,5-d]imidazole-2,5-dione.

Molecular Properties

Compound Name3,6-diphenyl-1,3a,4,6a-tetrahydroimidazo[4,5-d]imidazole-2,5-dione
PubChem CID3797290
Molecular FormulaC16H14N4O2
Molecular Weight294.31 g/mol
Exact Mass294.11
IUPAC Name3,6-diphenyl-1,3a,4,6a-tetrahydroimidazo[4,5-d]imidazole-2,5-dione
SMILESO=C1NC2C(NC(=O)N2c2ccccc2)N1c1ccccc1
InChIInChI=1S/C16H14N4O2/c21-15-18-14-13(19(15)11-7-3-1-4-8-11)17-16(22)20(14)12-9-5-2-6-10-12/h1-10,13-14H,(H,17,22)(H,18,21)
InChIKeyUGSQRUCCHOPIBC-UHFFFAOYSA-N
XLogP2.10
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3,6-diphenyl-1,3a,4,6a-tetrahydroimidazo[4,5-d]imidazole-2,5-dione?
The IUPAC name of 3,6-diphenyl-1,3a,4,6a-tetrahydroimidazo[4,5-d]imidazole-2,5-dione (CID 3797290) is 3,6-diphenyl-1,3a,4,6a-tetrahydroimidazo[4,5-d]imidazole-2,5-dione.
What is the SMILES notation for 3,6-diphenyl-1,3a,4,6a-tetrahydroimidazo[4,5-d]imidazole-2,5-dione?
The canonical SMILES for 3,6-diphenyl-1,3a,4,6a-tetrahydroimidazo[4,5-d]imidazole-2,5-dione is O=C1NC2C(NC(=O)N2c2ccccc2)N1c1ccccc1.
What is the InChIKey of 3,6-diphenyl-1,3a,4,6a-tetrahydroimidazo[4,5-d]imidazole-2,5-dione?
The InChIKey is UGSQRUCCHOPIBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O2/c21-15-18-14-13(19(15)11-7-3-1-4-8-11)17-16(22)20(14)12-9-5-2-6-10-12/h1-10,13-14H,(H,17,22)(H,18,21).
What are the key properties of 3,6-diphenyl-1,3a,4,6a-tetrahydroimidazo[4,5-d]imidazole-2,5-dione?
3,6-diphenyl-1,3a,4,6a-tetrahydroimidazo[4,5-d]imidazole-2,5-dione has a molecular weight of 294.31 g/mol, XLogP of 2.10, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-diphenyl-1,3a,4,6a-tetrahydroimidazo[4,5-d]imidazole-2,5-dione is sourced from PubChem (CID 3797290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).