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

C19H20N4O2 — CID 657756

IUPAC3,4,6-trimethyl-3a,6a-diphenyl-1H-imidazo[4,5-d]imidazole-2,5-dione
SMILESCN1C(=O)N(C)C2(c3ccccc3)N(C)C(=O)NC12c1ccccc1
InChIInChI=1S/C19H20N4O2/c1-21-16(24)20-18(14-10-6-4-7-11-14)19(21,15-12-8-5-9-13-15)23(3)17(25)22(18)2/h4-13H,1-3H3,(H,20,24)
InChIKeyKXFYMECRNUVGKX-UHFFFAOYSA-N
MW336.40 g/mol
LogP2.34
Rot. Bonds2

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

3,4,6-trimethyl-3a,6a-diphenyl-1H-imidazo[4,5-d]imidazole-2,5-dione (PubChem CID 657756) has the molecular formula C19H20N4O2 and a molecular weight of 336.40 g/mol. Its IUPAC name is 3,4,6-trimethyl-3a,6a-diphenyl-1H-imidazo[4,5-d]imidazole-2,5-dione.

Molecular Properties

Compound Name3,4,6-trimethyl-3a,6a-diphenyl-1H-imidazo[4,5-d]imidazole-2,5-dione
PubChem CID657756
Molecular FormulaC19H20N4O2
Molecular Weight336.40 g/mol
Exact Mass336.16
IUPAC Name3,4,6-trimethyl-3a,6a-diphenyl-1H-imidazo[4,5-d]imidazole-2,5-dione
SMILESCN1C(=O)N(C)C2(c3ccccc3)N(C)C(=O)NC12c1ccccc1
InChIInChI=1S/C19H20N4O2/c1-21-16(24)20-18(14-10-6-4-7-11-14)19(21,15-12-8-5-9-13-15)23(3)17(25)22(18)2/h4-13H,1-3H3,(H,20,24)
InChIKeyKXFYMECRNUVGKX-UHFFFAOYSA-N
XLogP2.34
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,4,6-trimethyl-3a,6a-diphenyl-1H-imidazo[4,5-d]imidazole-2,5-dione?
The IUPAC name of 3,4,6-trimethyl-3a,6a-diphenyl-1H-imidazo[4,5-d]imidazole-2,5-dione (CID 657756) is 3,4,6-trimethyl-3a,6a-diphenyl-1H-imidazo[4,5-d]imidazole-2,5-dione.
What is the SMILES notation for 3,4,6-trimethyl-3a,6a-diphenyl-1H-imidazo[4,5-d]imidazole-2,5-dione?
The canonical SMILES for 3,4,6-trimethyl-3a,6a-diphenyl-1H-imidazo[4,5-d]imidazole-2,5-dione is CN1C(=O)N(C)C2(c3ccccc3)N(C)C(=O)NC12c1ccccc1.
What is the InChIKey of 3,4,6-trimethyl-3a,6a-diphenyl-1H-imidazo[4,5-d]imidazole-2,5-dione?
The InChIKey is KXFYMECRNUVGKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2/c1-21-16(24)20-18(14-10-6-4-7-11-14)19(21,15-12-8-5-9-13-15)23(3)17(25)22(18)2/h4-13H,1-3H3,(H,20,24).
What are the key properties of 3,4,6-trimethyl-3a,6a-diphenyl-1H-imidazo[4,5-d]imidazole-2,5-dione?
3,4,6-trimethyl-3a,6a-diphenyl-1H-imidazo[4,5-d]imidazole-2,5-dione has a molecular weight of 336.40 g/mol, XLogP of 2.34, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,6-trimethyl-3a,6a-diphenyl-1H-imidazo[4,5-d]imidazole-2,5-dione is sourced from PubChem (CID 657756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).