4-ethyl-1,3,6-trimethyl-3a,6a-diphenylimidazo[4,5-d]imidazole-2,5-dione

C21H24N4O2 — CID 657743

IUPAC4-ethyl-1,3,6-trimethyl-3a,6a-diphenylimidazo[4,5-d]imidazole-2,5-dione
SMILESCCN1C(=O)N(C)C2(c3ccccc3)N(C)C(=O)N(C)C12c1ccccc1
InChIInChI=1S/C21H24N4O2/c1-5-25-19(27)24(4)20(16-12-8-6-9-13-16)21(25,17-14-10-7-11-15-17)23(3)18(26)22(20)2/h6-15H,5H2,1-4H3
InChIKeyBEMYZSINQAIMIO-UHFFFAOYSA-N
MW364.45 g/mol
LogP3.08
Rot. Bonds3

About 4-ethyl-1,3,6-trimethyl-3a,6a-diphenylimidazo[4,5-d]imidazole-2,5-dione

4-ethyl-1,3,6-trimethyl-3a,6a-diphenylimidazo[4,5-d]imidazole-2,5-dione (PubChem CID 657743) has the molecular formula C21H24N4O2 and a molecular weight of 364.45 g/mol. Its IUPAC name is 4-ethyl-1,3,6-trimethyl-3a,6a-diphenylimidazo[4,5-d]imidazole-2,5-dione.

Molecular Properties

Compound Name4-ethyl-1,3,6-trimethyl-3a,6a-diphenylimidazo[4,5-d]imidazole-2,5-dione
PubChem CID657743
Molecular FormulaC21H24N4O2
Molecular Weight364.45 g/mol
Exact Mass364.19
IUPAC Name4-ethyl-1,3,6-trimethyl-3a,6a-diphenylimidazo[4,5-d]imidazole-2,5-dione
SMILESCCN1C(=O)N(C)C2(c3ccccc3)N(C)C(=O)N(C)C12c1ccccc1
InChIInChI=1S/C21H24N4O2/c1-5-25-19(27)24(4)20(16-12-8-6-9-13-16)21(25,17-14-10-7-11-15-17)23(3)18(26)22(20)2/h6-15H,5H2,1-4H3
InChIKeyBEMYZSINQAIMIO-UHFFFAOYSA-N
XLogP3.08
TPSA47.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-ethyl-1,3,6-trimethyl-3a,6a-diphenylimidazo[4,5-d]imidazole-2,5-dione with MolForge

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Related Compounds

Iodogen
CID 40065
Tetrahydro-3a,6a-diphenylimidazo(4,5-d)imidazole-2,5(1H,3H)-dione
CID 21237
1,1-Dimethyl-3-(2-oxo-4,4-diphenyl-imidazolidin-1-yl)-pyrrolidinium
CID 16125325
1-Benzyl-1-methyl-3-(2-oxo-4,4-diphenyl-imidazolidin-1-yl)-pyrrolidinium
CID 16125529
3,4,6-trimethyl-3a,6a-diphenyl-1H-imidazo[4,5-d]imidazole-2,5-dione
CID 657756
1-[(3R)-1-benzyl-1-methylpyrrolidin-1-ium-3-yl]-4,4-diphenylimidazolidin-2-one
CID 16125531
Trimethyl-[2-(2-oxo-4,4-diphenyl-imidazolidin-1-yl)-ethyl]-ammonium
CID 16125535
(S)-2-pyrrolidin-1-ylmethyl-pyrrolidine-1-carboxylic acid biphenyl-4-ylmethyl-methyl-amide
CID 44418464
(S)-2-pyrrolidin-1-ylmethyl-pyrrolidine-1-carboxylic acid (biphenyl-4-ylmethyl)-amide
CID 44418520
1-Benzyl-3-[2-(1,3-dihydroisoindol-2-yl)ethyl]imidazolidin-2-one
CID 45272412
1H-Imidazole-1-carboximidic acid, 1,1'-[methylenebis(2,6-dimethyl-4,1-phenylene)] ester
CID 3086548
1,3-dimethyl-3a,6a-diphenyltetrahydroimidazo[4,5-d]imidazole-2,5(1H,3H)-dione
CID 657701

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1,3,6-trimethyl-3a,6a-diphenylimidazo[4,5-d]imidazole-2,5-dione?
The IUPAC name of 4-ethyl-1,3,6-trimethyl-3a,6a-diphenylimidazo[4,5-d]imidazole-2,5-dione (CID 657743) is 4-ethyl-1,3,6-trimethyl-3a,6a-diphenylimidazo[4,5-d]imidazole-2,5-dione.
What is the SMILES notation for 4-ethyl-1,3,6-trimethyl-3a,6a-diphenylimidazo[4,5-d]imidazole-2,5-dione?
The canonical SMILES for 4-ethyl-1,3,6-trimethyl-3a,6a-diphenylimidazo[4,5-d]imidazole-2,5-dione is CCN1C(=O)N(C)C2(c3ccccc3)N(C)C(=O)N(C)C12c1ccccc1.
What is the InChIKey of 4-ethyl-1,3,6-trimethyl-3a,6a-diphenylimidazo[4,5-d]imidazole-2,5-dione?
The InChIKey is BEMYZSINQAIMIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2/c1-5-25-19(27)24(4)20(16-12-8-6-9-13-16)21(25,17-14-10-7-11-15-17)23(3)18(26)22(20)2/h6-15H,5H2,1-4H3.
What are the key properties of 4-ethyl-1,3,6-trimethyl-3a,6a-diphenylimidazo[4,5-d]imidazole-2,5-dione?
4-ethyl-1,3,6-trimethyl-3a,6a-diphenylimidazo[4,5-d]imidazole-2,5-dione has a molecular weight of 364.45 g/mol, XLogP of 3.08, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1,3,6-trimethyl-3a,6a-diphenylimidazo[4,5-d]imidazole-2,5-dione is sourced from PubChem (CID 657743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).