4-butyl-6-methyl-1,3,3a,6a-tetrahydroimidazo[4,5-d]imidazole-2,5-dione

C9H16N4O2 — CID 2930719

IUPAC4-butyl-6-methyl-1,3,3a,6a-tetrahydroimidazo[4,5-d]imidazole-2,5-dione
SMILESCCCCN1C(=O)N(C)C2NC(=O)NC21
InChIInChI=1S/C9H16N4O2/c1-3-4-5-13-7-6(10-8(14)11-7)12(2)9(13)15/h6-7H,3-5H2,1-2H3,(H2,10,11,14)
InChIKeyQWJZZOQDBRKPPB-UHFFFAOYSA-N
MW212.25 g/mol
LogP0.12
Rot. Bonds3

About 4-butyl-6-methyl-1,3,3a,6a-tetrahydroimidazo[4,5-d]imidazole-2,5-dione

4-butyl-6-methyl-1,3,3a,6a-tetrahydroimidazo[4,5-d]imidazole-2,5-dione (PubChem CID 2930719) has the molecular formula C9H16N4O2 and a molecular weight of 212.25 g/mol. Its IUPAC name is 4-butyl-6-methyl-1,3,3a,6a-tetrahydroimidazo[4,5-d]imidazole-2,5-dione.

Molecular Properties

Compound Name4-butyl-6-methyl-1,3,3a,6a-tetrahydroimidazo[4,5-d]imidazole-2,5-dione
PubChem CID2930719
Molecular FormulaC9H16N4O2
Molecular Weight212.25 g/mol
Exact Mass212.13
IUPAC Name4-butyl-6-methyl-1,3,3a,6a-tetrahydroimidazo[4,5-d]imidazole-2,5-dione
SMILESCCCCN1C(=O)N(C)C2NC(=O)NC21
InChIInChI=1S/C9H16N4O2/c1-3-4-5-13-7-6(10-8(14)11-7)12(2)9(13)15/h6-7H,3-5H2,1-2H3,(H2,10,11,14)
InChIKeyQWJZZOQDBRKPPB-UHFFFAOYSA-N
XLogP0.12
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-butyl-6-methyl-1,3,3a,6a-tetrahydroimidazo[4,5-d]imidazole-2,5-dione?
The IUPAC name of 4-butyl-6-methyl-1,3,3a,6a-tetrahydroimidazo[4,5-d]imidazole-2,5-dione (CID 2930719) is 4-butyl-6-methyl-1,3,3a,6a-tetrahydroimidazo[4,5-d]imidazole-2,5-dione.
What is the SMILES notation for 4-butyl-6-methyl-1,3,3a,6a-tetrahydroimidazo[4,5-d]imidazole-2,5-dione?
The canonical SMILES for 4-butyl-6-methyl-1,3,3a,6a-tetrahydroimidazo[4,5-d]imidazole-2,5-dione is CCCCN1C(=O)N(C)C2NC(=O)NC21.
What is the InChIKey of 4-butyl-6-methyl-1,3,3a,6a-tetrahydroimidazo[4,5-d]imidazole-2,5-dione?
The InChIKey is QWJZZOQDBRKPPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O2/c1-3-4-5-13-7-6(10-8(14)11-7)12(2)9(13)15/h6-7H,3-5H2,1-2H3,(H2,10,11,14).
What are the key properties of 4-butyl-6-methyl-1,3,3a,6a-tetrahydroimidazo[4,5-d]imidazole-2,5-dione?
4-butyl-6-methyl-1,3,3a,6a-tetrahydroimidazo[4,5-d]imidazole-2,5-dione has a molecular weight of 212.25 g/mol, XLogP of 0.12, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-6-methyl-1,3,3a,6a-tetrahydroimidazo[4,5-d]imidazole-2,5-dione is sourced from PubChem (CID 2930719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).