3-[(4,6-diethyl-1-methyl-2,5-dioxo-3a,6a-dihydroimidazo[4,5-d]imidazol-3-yl)methyl]-4,6-diethyl-1-methyl-3a,6a-dihydroimidazo[4,5-d]imidazole-2,5-dione

C19H32N8O4 — CID 46497819

IUPAC3-[(4,6-diethyl-1-methyl-2,5-dioxo-3a,6a-dihydroimidazo[4,5-d]imidazol-3-yl)methyl]-4,6-diethyl-1-methyl-3a,6a-dihydroimidazo[4,5-d]imidazole-2,5-dione
SMILESCCN1C(=O)N(CC)C2C1N(C)C(=O)N2CN1C(=O)N(C)C2C1N(CC)C(=O)N2CC
InChIInChI=1S/C19H32N8O4/c1-7-22-12-14(24(9-3)18(22)30)26(16(28)20(12)5)11-27-15-13(21(6)17(27)29)23(8-2)19(31)25(15)10-4/h12-15H,7-11H2,1-6H3
InChIKeyIBZJDNKRLCGOKN-UHFFFAOYSA-N
MW436.52 g/mol
LogP0.54
Rot. Bonds6

About 3-[(4,6-diethyl-1-methyl-2,5-dioxo-3a,6a-dihydroimidazo[4,5-d]imidazol-3-yl)methyl]-4,6-diethyl-1-methyl-3a,6a-dihydroimidazo[4,5-d]imidazole-2,5-dione

3-[(4,6-diethyl-1-methyl-2,5-dioxo-3a,6a-dihydroimidazo[4,5-d]imidazol-3-yl)methyl]-4,6-diethyl-1-methyl-3a,6a-dihydroimidazo[4,5-d]imidazole-2,5-dione (PubChem CID 46497819) has the molecular formula C19H32N8O4 and a molecular weight of 436.52 g/mol. Its IUPAC name is 3-[(4,6-diethyl-1-methyl-2,5-dioxo-3a,6a-dihydroimidazo[4,5-d]imidazol-3-yl)methyl]-4,6-diethyl-1-methyl-3a,6a-dihydroimidazo[4,5-d]imidazole-2,5-dione.

Molecular Properties

Compound Name3-[(4,6-diethyl-1-methyl-2,5-dioxo-3a,6a-dihydroimidazo[4,5-d]imidazol-3-yl)methyl]-4,6-diethyl-1-methyl-3a,6a-dihydroimidazo[4,5-d]imidazole-2,5-dione
PubChem CID46497819
Molecular FormulaC19H32N8O4
Molecular Weight436.52 g/mol
Exact Mass436.25
IUPAC Name3-[(4,6-diethyl-1-methyl-2,5-dioxo-3a,6a-dihydroimidazo[4,5-d]imidazol-3-yl)methyl]-4,6-diethyl-1-methyl-3a,6a-dihydroimidazo[4,5-d]imidazole-2,5-dione
SMILESCCN1C(=O)N(CC)C2C1N(C)C(=O)N2CN1C(=O)N(C)C2C1N(CC)C(=O)N2CC
InChIInChI=1S/C19H32N8O4/c1-7-22-12-14(24(9-3)18(22)30)26(16(28)20(12)5)11-27-15-13(21(6)17(27)29)23(8-2)19(31)25(15)10-4/h12-15H,7-11H2,1-6H3
InChIKeyIBZJDNKRLCGOKN-UHFFFAOYSA-N
XLogP0.54
TPSA94.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.52
LogP ≤ 50.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-[(4,6-diethyl-1-methyl-2,5-dioxo-3a,6a-dihydroimidazo[4,5-d]imidazol-3-yl)methyl]-4,6-diethyl-1-methyl-3a,6a-dihydroimidazo[4,5-d]imidazole-2,5-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[(4,6-diethyl-1-methyl-2,5-dioxo-3a,6a-dihydroimidazo[4,5-d]imidazol-3-yl)methyl]-4,6-diethyl-1-methyl-3a,6a-dihydroimidazo[4,5-d]imidazole-2,5-dione?
The IUPAC name of 3-[(4,6-diethyl-1-methyl-2,5-dioxo-3a,6a-dihydroimidazo[4,5-d]imidazol-3-yl)methyl]-4,6-diethyl-1-methyl-3a,6a-dihydroimidazo[4,5-d]imidazole-2,5-dione (CID 46497819) is 3-[(4,6-diethyl-1-methyl-2,5-dioxo-3a,6a-dihydroimidazo[4,5-d]imidazol-3-yl)methyl]-4,6-diethyl-1-methyl-3a,6a-dihydroimidazo[4,5-d]imidazole-2,5-dione.
What is the SMILES notation for 3-[(4,6-diethyl-1-methyl-2,5-dioxo-3a,6a-dihydroimidazo[4,5-d]imidazol-3-yl)methyl]-4,6-diethyl-1-methyl-3a,6a-dihydroimidazo[4,5-d]imidazole-2,5-dione?
The canonical SMILES for 3-[(4,6-diethyl-1-methyl-2,5-dioxo-3a,6a-dihydroimidazo[4,5-d]imidazol-3-yl)methyl]-4,6-diethyl-1-methyl-3a,6a-dihydroimidazo[4,5-d]imidazole-2,5-dione is CCN1C(=O)N(CC)C2C1N(C)C(=O)N2CN1C(=O)N(C)C2C1N(CC)C(=O)N2CC.
What is the InChIKey of 3-[(4,6-diethyl-1-methyl-2,5-dioxo-3a,6a-dihydroimidazo[4,5-d]imidazol-3-yl)methyl]-4,6-diethyl-1-methyl-3a,6a-dihydroimidazo[4,5-d]imidazole-2,5-dione?
The InChIKey is IBZJDNKRLCGOKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N8O4/c1-7-22-12-14(24(9-3)18(22)30)26(16(28)20(12)5)11-27-15-13(21(6)17(27)29)23(8-2)19(31)25(15)10-4/h12-15H,7-11H2,1-6H3.
What are the key properties of 3-[(4,6-diethyl-1-methyl-2,5-dioxo-3a,6a-dihydroimidazo[4,5-d]imidazol-3-yl)methyl]-4,6-diethyl-1-methyl-3a,6a-dihydroimidazo[4,5-d]imidazole-2,5-dione?
3-[(4,6-diethyl-1-methyl-2,5-dioxo-3a,6a-dihydroimidazo[4,5-d]imidazol-3-yl)methyl]-4,6-diethyl-1-methyl-3a,6a-dihydroimidazo[4,5-d]imidazole-2,5-dione has a molecular weight of 436.52 g/mol, XLogP of 0.54, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4,6-diethyl-1-methyl-2,5-dioxo-3a,6a-dihydroimidazo[4,5-d]imidazol-3-yl)methyl]-4,6-diethyl-1-methyl-3a,6a-dihydroimidazo[4,5-d]imidazole-2,5-dione is sourced from PubChem (CID 46497819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).