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

C4H4Cl2N4O2 — CID 18317102

IUPAC4,6-dichloro-1,3,3a,6a-tetrahydroimidazo[4,5-d]imidazole-2,5-dione
SMILESO=C1NC2C(N1)N(Cl)C(=O)N2Cl
InChIInChI=1S/C4H4Cl2N4O2/c5-9-1-2(8-3(11)7-1)10(6)4(9)12/h1-2H,(H2,7,8,11)
InChIKeyJSWHIHQUAYRMHD-UHFFFAOYSA-N
MW211.01 g/mol
LogP-0.00
Rot. Bonds

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

4,6-dichloro-1,3,3a,6a-tetrahydroimidazo[4,5-d]imidazole-2,5-dione (PubChem CID 18317102) has the molecular formula C4H4Cl2N4O2 and a molecular weight of 211.01 g/mol. Its IUPAC name is 4,6-dichloro-1,3,3a,6a-tetrahydroimidazo[4,5-d]imidazole-2,5-dione.

Molecular Properties

Compound Name4,6-dichloro-1,3,3a,6a-tetrahydroimidazo[4,5-d]imidazole-2,5-dione
PubChem CID18317102
Molecular FormulaC4H4Cl2N4O2
Molecular Weight211.01 g/mol
Exact Mass209.97
IUPAC Name4,6-dichloro-1,3,3a,6a-tetrahydroimidazo[4,5-d]imidazole-2,5-dione
SMILESO=C1NC2C(N1)N(Cl)C(=O)N2Cl
InChIInChI=1S/C4H4Cl2N4O2/c5-9-1-2(8-3(11)7-1)10(6)4(9)12/h1-2H,(H2,7,8,11)
InChIKeyJSWHIHQUAYRMHD-UHFFFAOYSA-N
XLogP-0.00
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.01
LogP ≤ 5-0.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-1,3,3a,6a-tetrahydroimidazo[4,5-d]imidazole-2,5-dione?
The IUPAC name of 4,6-dichloro-1,3,3a,6a-tetrahydroimidazo[4,5-d]imidazole-2,5-dione (CID 18317102) is 4,6-dichloro-1,3,3a,6a-tetrahydroimidazo[4,5-d]imidazole-2,5-dione.
What is the SMILES notation for 4,6-dichloro-1,3,3a,6a-tetrahydroimidazo[4,5-d]imidazole-2,5-dione?
The canonical SMILES for 4,6-dichloro-1,3,3a,6a-tetrahydroimidazo[4,5-d]imidazole-2,5-dione is O=C1NC2C(N1)N(Cl)C(=O)N2Cl.
What is the InChIKey of 4,6-dichloro-1,3,3a,6a-tetrahydroimidazo[4,5-d]imidazole-2,5-dione?
The InChIKey is JSWHIHQUAYRMHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4Cl2N4O2/c5-9-1-2(8-3(11)7-1)10(6)4(9)12/h1-2H,(H2,7,8,11).
What are the key properties of 4,6-dichloro-1,3,3a,6a-tetrahydroimidazo[4,5-d]imidazole-2,5-dione?
4,6-dichloro-1,3,3a,6a-tetrahydroimidazo[4,5-d]imidazole-2,5-dione has a molecular weight of 211.01 g/mol, XLogP of -0.00, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-1,3,3a,6a-tetrahydroimidazo[4,5-d]imidazole-2,5-dione is sourced from PubChem (CID 18317102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).