5-(1,3-dichloro-5-methylhexyl)imidazolidine-2,4-dione

C10H16Cl2N2O2 — CID 68523936

IUPAC5-(1,3-dichloro-5-methylhexyl)imidazolidine-2,4-dione
SMILESCC(C)CC(Cl)CC(Cl)C1NC(=O)NC1=O
InChIInChI=1S/C10H16Cl2N2O2/c1-5(2)3-6(11)4-7(12)8-9(15)14-10(16)13-8/h5-8H,3-4H2,1-2H3,(H2,13,14,15,16)
InChIKeyXOBKSECKNPZZDP-UHFFFAOYSA-N
MW267.16 g/mol
LogP1.85
Rot. Bonds5

About 5-(1,3-dichloro-5-methylhexyl)imidazolidine-2,4-dione

5-(1,3-dichloro-5-methylhexyl)imidazolidine-2,4-dione (PubChem CID 68523936) has the molecular formula C10H16Cl2N2O2 and a molecular weight of 267.16 g/mol. Its IUPAC name is 5-(1,3-dichloro-5-methylhexyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-(1,3-dichloro-5-methylhexyl)imidazolidine-2,4-dione
PubChem CID68523936
Molecular FormulaC10H16Cl2N2O2
Molecular Weight267.16 g/mol
Exact Mass266.06
IUPAC Name5-(1,3-dichloro-5-methylhexyl)imidazolidine-2,4-dione
SMILESCC(C)CC(Cl)CC(Cl)C1NC(=O)NC1=O
InChIInChI=1S/C10H16Cl2N2O2/c1-5(2)3-6(11)4-7(12)8-9(15)14-10(16)13-8/h5-8H,3-4H2,1-2H3,(H2,13,14,15,16)
InChIKeyXOBKSECKNPZZDP-UHFFFAOYSA-N
XLogP1.85
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.16
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(1,3-dichloro-5-methylhexyl)imidazolidine-2,4-dione?
The IUPAC name of 5-(1,3-dichloro-5-methylhexyl)imidazolidine-2,4-dione (CID 68523936) is 5-(1,3-dichloro-5-methylhexyl)imidazolidine-2,4-dione.
What is the SMILES notation for 5-(1,3-dichloro-5-methylhexyl)imidazolidine-2,4-dione?
The canonical SMILES for 5-(1,3-dichloro-5-methylhexyl)imidazolidine-2,4-dione is CC(C)CC(Cl)CC(Cl)C1NC(=O)NC1=O.
What is the InChIKey of 5-(1,3-dichloro-5-methylhexyl)imidazolidine-2,4-dione?
The InChIKey is XOBKSECKNPZZDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16Cl2N2O2/c1-5(2)3-6(11)4-7(12)8-9(15)14-10(16)13-8/h5-8H,3-4H2,1-2H3,(H2,13,14,15,16).
What are the key properties of 5-(1,3-dichloro-5-methylhexyl)imidazolidine-2,4-dione?
5-(1,3-dichloro-5-methylhexyl)imidazolidine-2,4-dione has a molecular weight of 267.16 g/mol, XLogP of 1.85, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,3-dichloro-5-methylhexyl)imidazolidine-2,4-dione is sourced from PubChem (CID 68523936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).