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

C18H18N4O2 — CID 657701

IUPAC4,6-dimethyl-3a,6a-diphenyl-1,3-dihydroimidazo[4,5-d]imidazole-2,5-dione
SMILESCN1C(=O)N(C)C2(c3ccccc3)NC(=O)NC12c1ccccc1
InChIInChI=1S/C18H18N4O2/c1-21-16(24)22(2)18(14-11-7-4-8-12-14)17(21,19-15(23)20-18)13-9-5-3-6-10-13/h3-12H,1-2H3,(H2,19,20,23)
InChIKeyKZYFEYACAVTOSA-UHFFFAOYSA-N
MW322.37 g/mol
LogP2.00
Rot. Bonds2

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

4,6-dimethyl-3a,6a-diphenyl-1,3-dihydroimidazo[4,5-d]imidazole-2,5-dione (PubChem CID 657701) has the molecular formula C18H18N4O2 and a molecular weight of 322.37 g/mol. Its IUPAC name is 4,6-dimethyl-3a,6a-diphenyl-1,3-dihydroimidazo[4,5-d]imidazole-2,5-dione.

Molecular Properties

Compound Name4,6-dimethyl-3a,6a-diphenyl-1,3-dihydroimidazo[4,5-d]imidazole-2,5-dione
PubChem CID657701
Molecular FormulaC18H18N4O2
Molecular Weight322.37 g/mol
Exact Mass322.14
IUPAC Name4,6-dimethyl-3a,6a-diphenyl-1,3-dihydroimidazo[4,5-d]imidazole-2,5-dione
SMILESCN1C(=O)N(C)C2(c3ccccc3)NC(=O)NC12c1ccccc1
InChIInChI=1S/C18H18N4O2/c1-21-16(24)22(2)18(14-11-7-4-8-12-14)17(21,19-15(23)20-18)13-9-5-3-6-10-13/h3-12H,1-2H3,(H2,19,20,23)
InChIKeyKZYFEYACAVTOSA-UHFFFAOYSA-N
XLogP2.00
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-3a,6a-diphenyl-1,3-dihydroimidazo[4,5-d]imidazole-2,5-dione?
The IUPAC name of 4,6-dimethyl-3a,6a-diphenyl-1,3-dihydroimidazo[4,5-d]imidazole-2,5-dione (CID 657701) is 4,6-dimethyl-3a,6a-diphenyl-1,3-dihydroimidazo[4,5-d]imidazole-2,5-dione.
What is the SMILES notation for 4,6-dimethyl-3a,6a-diphenyl-1,3-dihydroimidazo[4,5-d]imidazole-2,5-dione?
The canonical SMILES for 4,6-dimethyl-3a,6a-diphenyl-1,3-dihydroimidazo[4,5-d]imidazole-2,5-dione is CN1C(=O)N(C)C2(c3ccccc3)NC(=O)NC12c1ccccc1.
What is the InChIKey of 4,6-dimethyl-3a,6a-diphenyl-1,3-dihydroimidazo[4,5-d]imidazole-2,5-dione?
The InChIKey is KZYFEYACAVTOSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2/c1-21-16(24)22(2)18(14-11-7-4-8-12-14)17(21,19-15(23)20-18)13-9-5-3-6-10-13/h3-12H,1-2H3,(H2,19,20,23).
What are the key properties of 4,6-dimethyl-3a,6a-diphenyl-1,3-dihydroimidazo[4,5-d]imidazole-2,5-dione?
4,6-dimethyl-3a,6a-diphenyl-1,3-dihydroimidazo[4,5-d]imidazole-2,5-dione has a molecular weight of 322.37 g/mol, XLogP of 2.00, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-3a,6a-diphenyl-1,3-dihydroimidazo[4,5-d]imidazole-2,5-dione is sourced from PubChem (CID 657701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).