4-benzyl-3a,6a-diphenyl-3,6-dihydro-1H-imidazo[4,5-d]imidazole-2,5-dione

C23H20N4O2 — CID 132576755

IUPAC4-benzyl-3a,6a-diphenyl-3,6-dihydro-1H-imidazo[4,5-d]imidazole-2,5-dione
SMILESO=C1NC2(c3ccccc3)NC(=O)N(Cc3ccccc3)C2(c2ccccc2)N1
InChIInChI=1S/C23H20N4O2/c28-20-24-22(18-12-6-2-7-13-18)23(25-20,19-14-8-3-9-15-19)27(21(29)26-22)16-17-10-4-1-5-11-17/h1-15H,16H2,(H,26,29)(H2,24,25,28)
InChIKeyOQVLQWBFFRDGLJ-UHFFFAOYSA-N
MW384.44 g/mol
LogP3.23
Rot. Bonds4

About 4-benzyl-3a,6a-diphenyl-3,6-dihydro-1H-imidazo[4,5-d]imidazole-2,5-dione

4-benzyl-3a,6a-diphenyl-3,6-dihydro-1H-imidazo[4,5-d]imidazole-2,5-dione (PubChem CID 132576755) has the molecular formula C23H20N4O2 and a molecular weight of 384.44 g/mol. Its IUPAC name is 4-benzyl-3a,6a-diphenyl-3,6-dihydro-1H-imidazo[4,5-d]imidazole-2,5-dione.

Molecular Properties

Compound Name4-benzyl-3a,6a-diphenyl-3,6-dihydro-1H-imidazo[4,5-d]imidazole-2,5-dione
PubChem CID132576755
Molecular FormulaC23H20N4O2
Molecular Weight384.44 g/mol
Exact Mass384.16
IUPAC Name4-benzyl-3a,6a-diphenyl-3,6-dihydro-1H-imidazo[4,5-d]imidazole-2,5-dione
SMILESO=C1NC2(c3ccccc3)NC(=O)N(Cc3ccccc3)C2(c2ccccc2)N1
InChIInChI=1S/C23H20N4O2/c28-20-24-22(18-12-6-2-7-13-18)23(25-20,19-14-8-3-9-15-19)27(21(29)26-22)16-17-10-4-1-5-11-17/h1-15H,16H2,(H,26,29)(H2,24,25,28)
InChIKeyOQVLQWBFFRDGLJ-UHFFFAOYSA-N
XLogP3.23
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 53.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-benzyl-3a,6a-diphenyl-3,6-dihydro-1H-imidazo[4,5-d]imidazole-2,5-dione?
The IUPAC name of 4-benzyl-3a,6a-diphenyl-3,6-dihydro-1H-imidazo[4,5-d]imidazole-2,5-dione (CID 132576755) is 4-benzyl-3a,6a-diphenyl-3,6-dihydro-1H-imidazo[4,5-d]imidazole-2,5-dione.
What is the SMILES notation for 4-benzyl-3a,6a-diphenyl-3,6-dihydro-1H-imidazo[4,5-d]imidazole-2,5-dione?
The canonical SMILES for 4-benzyl-3a,6a-diphenyl-3,6-dihydro-1H-imidazo[4,5-d]imidazole-2,5-dione is O=C1NC2(c3ccccc3)NC(=O)N(Cc3ccccc3)C2(c2ccccc2)N1.
What is the InChIKey of 4-benzyl-3a,6a-diphenyl-3,6-dihydro-1H-imidazo[4,5-d]imidazole-2,5-dione?
The InChIKey is OQVLQWBFFRDGLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O2/c28-20-24-22(18-12-6-2-7-13-18)23(25-20,19-14-8-3-9-15-19)27(21(29)26-22)16-17-10-4-1-5-11-17/h1-15H,16H2,(H,26,29)(H2,24,25,28).
What are the key properties of 4-benzyl-3a,6a-diphenyl-3,6-dihydro-1H-imidazo[4,5-d]imidazole-2,5-dione?
4-benzyl-3a,6a-diphenyl-3,6-dihydro-1H-imidazo[4,5-d]imidazole-2,5-dione has a molecular weight of 384.44 g/mol, XLogP of 3.23, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-3a,6a-diphenyl-3,6-dihydro-1H-imidazo[4,5-d]imidazole-2,5-dione is sourced from PubChem (CID 132576755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).