3-tert-butyl-4,6-dimethyl-3a,6a-diphenyl-1H-imidazo[4,5-d]imidazole-2,5-dione

C22H26N4O2 — CID 3300651

IUPAC3-tert-butyl-4,6-dimethyl-3a,6a-diphenyl-1H-imidazo[4,5-d]imidazole-2,5-dione
SMILESCN1C(=O)N(C)C2(c3ccccc3)N(C(C)(C)C)C(=O)NC12c1ccccc1
InChIInChI=1S/C22H26N4O2/c1-20(2,3)26-18(27)23-21(16-12-8-6-9-13-16)22(26,17-14-10-7-11-15-17)25(5)19(28)24(21)4/h6-15H,1-5H3,(H,23,27)
InChIKeyWATLGMXWCKXWAM-UHFFFAOYSA-N
MW378.48 g/mol
LogP3.51
Rot. Bonds2

About 3-tert-butyl-4,6-dimethyl-3a,6a-diphenyl-1H-imidazo[4,5-d]imidazole-2,5-dione

3-tert-butyl-4,6-dimethyl-3a,6a-diphenyl-1H-imidazo[4,5-d]imidazole-2,5-dione (PubChem CID 3300651) has the molecular formula C22H26N4O2 and a molecular weight of 378.48 g/mol. Its IUPAC name is 3-tert-butyl-4,6-dimethyl-3a,6a-diphenyl-1H-imidazo[4,5-d]imidazole-2,5-dione.

Molecular Properties

Compound Name3-tert-butyl-4,6-dimethyl-3a,6a-diphenyl-1H-imidazo[4,5-d]imidazole-2,5-dione
PubChem CID3300651
Molecular FormulaC22H26N4O2
Molecular Weight378.48 g/mol
Exact Mass378.21
IUPAC Name3-tert-butyl-4,6-dimethyl-3a,6a-diphenyl-1H-imidazo[4,5-d]imidazole-2,5-dione
SMILESCN1C(=O)N(C)C2(c3ccccc3)N(C(C)(C)C)C(=O)NC12c1ccccc1
InChIInChI=1S/C22H26N4O2/c1-20(2,3)26-18(27)23-21(16-12-8-6-9-13-16)22(26,17-14-10-7-11-15-17)25(5)19(28)24(21)4/h6-15H,1-5H3,(H,23,27)
InChIKeyWATLGMXWCKXWAM-UHFFFAOYSA-N
XLogP3.51
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-4,6-dimethyl-3a,6a-diphenyl-1H-imidazo[4,5-d]imidazole-2,5-dione?
The IUPAC name of 3-tert-butyl-4,6-dimethyl-3a,6a-diphenyl-1H-imidazo[4,5-d]imidazole-2,5-dione (CID 3300651) is 3-tert-butyl-4,6-dimethyl-3a,6a-diphenyl-1H-imidazo[4,5-d]imidazole-2,5-dione.
What is the SMILES notation for 3-tert-butyl-4,6-dimethyl-3a,6a-diphenyl-1H-imidazo[4,5-d]imidazole-2,5-dione?
The canonical SMILES for 3-tert-butyl-4,6-dimethyl-3a,6a-diphenyl-1H-imidazo[4,5-d]imidazole-2,5-dione is CN1C(=O)N(C)C2(c3ccccc3)N(C(C)(C)C)C(=O)NC12c1ccccc1.
What is the InChIKey of 3-tert-butyl-4,6-dimethyl-3a,6a-diphenyl-1H-imidazo[4,5-d]imidazole-2,5-dione?
The InChIKey is WATLGMXWCKXWAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O2/c1-20(2,3)26-18(27)23-21(16-12-8-6-9-13-16)22(26,17-14-10-7-11-15-17)25(5)19(28)24(21)4/h6-15H,1-5H3,(H,23,27).
What are the key properties of 3-tert-butyl-4,6-dimethyl-3a,6a-diphenyl-1H-imidazo[4,5-d]imidazole-2,5-dione?
3-tert-butyl-4,6-dimethyl-3a,6a-diphenyl-1H-imidazo[4,5-d]imidazole-2,5-dione has a molecular weight of 378.48 g/mol, XLogP of 3.51, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-4,6-dimethyl-3a,6a-diphenyl-1H-imidazo[4,5-d]imidazole-2,5-dione is sourced from PubChem (CID 3300651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).