2-(4,5-dichloroimidazol-2-ylidene)-1,3-diethylimidazolidine-4,5-dione

C10H10Cl2N4O2 — CID 124927037

IUPAC2-(4,5-dichloroimidazol-2-ylidene)-1,3-diethylimidazolidine-4,5-dione
SMILESCCN1C(=O)C(=O)N(CC)C1=C1N=C(Cl)C(Cl)=N1
InChIInChI=1S/C10H10Cl2N4O2/c1-3-15-8(7-13-5(11)6(12)14-7)16(4-2)10(18)9(15)17/h3-4H2,1-2H3
InChIKeyNLLJBKBPMBEMAK-UHFFFAOYSA-N
MW289.12 g/mol
LogP1.11
Rot. Bonds2

About 2-(4,5-dichloroimidazol-2-ylidene)-1,3-diethylimidazolidine-4,5-dione

2-(4,5-dichloroimidazol-2-ylidene)-1,3-diethylimidazolidine-4,5-dione (PubChem CID 124927037) has the molecular formula C10H10Cl2N4O2 and a molecular weight of 289.12 g/mol. Its IUPAC name is 2-(4,5-dichloroimidazol-2-ylidene)-1,3-diethylimidazolidine-4,5-dione.

Molecular Properties

Compound Name2-(4,5-dichloroimidazol-2-ylidene)-1,3-diethylimidazolidine-4,5-dione
PubChem CID124927037
Molecular FormulaC10H10Cl2N4O2
Molecular Weight289.12 g/mol
Exact Mass288.02
IUPAC Name2-(4,5-dichloroimidazol-2-ylidene)-1,3-diethylimidazolidine-4,5-dione
SMILESCCN1C(=O)C(=O)N(CC)C1=C1N=C(Cl)C(Cl)=N1
InChIInChI=1S/C10H10Cl2N4O2/c1-3-15-8(7-13-5(11)6(12)14-7)16(4-2)10(18)9(15)17/h3-4H2,1-2H3
InChIKeyNLLJBKBPMBEMAK-UHFFFAOYSA-N
XLogP1.11
TPSA65.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.12
LogP ≤ 51.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dichloroimidazol-2-ylidene)-1,3-diethylimidazolidine-4,5-dione?
The IUPAC name of 2-(4,5-dichloroimidazol-2-ylidene)-1,3-diethylimidazolidine-4,5-dione (CID 124927037) is 2-(4,5-dichloroimidazol-2-ylidene)-1,3-diethylimidazolidine-4,5-dione.
What is the SMILES notation for 2-(4,5-dichloroimidazol-2-ylidene)-1,3-diethylimidazolidine-4,5-dione?
The canonical SMILES for 2-(4,5-dichloroimidazol-2-ylidene)-1,3-diethylimidazolidine-4,5-dione is CCN1C(=O)C(=O)N(CC)C1=C1N=C(Cl)C(Cl)=N1.
What is the InChIKey of 2-(4,5-dichloroimidazol-2-ylidene)-1,3-diethylimidazolidine-4,5-dione?
The InChIKey is NLLJBKBPMBEMAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Cl2N4O2/c1-3-15-8(7-13-5(11)6(12)14-7)16(4-2)10(18)9(15)17/h3-4H2,1-2H3.
What are the key properties of 2-(4,5-dichloroimidazol-2-ylidene)-1,3-diethylimidazolidine-4,5-dione?
2-(4,5-dichloroimidazol-2-ylidene)-1,3-diethylimidazolidine-4,5-dione has a molecular weight of 289.12 g/mol, XLogP of 1.11, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dichloroimidazol-2-ylidene)-1,3-diethylimidazolidine-4,5-dione is sourced from PubChem (CID 124927037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).