3-(4,4-dimethylpentyl)imidazolidine-2,4-dione

C10H18N2O2 — CID 130318001

IUPAC3-(4,4-dimethylpentyl)imidazolidine-2,4-dione
SMILESCC(C)(C)CCCN1C(=O)CNC1=O
InChIInChI=1S/C10H18N2O2/c1-10(2,3)5-4-6-12-8(13)7-11-9(12)14/h4-7H2,1-3H3,(H,11,14)
InChIKeyVXGBFTFSUNXCJL-UHFFFAOYSA-N
MW198.27 g/mol
LogP1.36
Rot. Bonds3

About 3-(4,4-dimethylpentyl)imidazolidine-2,4-dione

3-(4,4-dimethylpentyl)imidazolidine-2,4-dione (PubChem CID 130318001) has the molecular formula C10H18N2O2 and a molecular weight of 198.27 g/mol. Its IUPAC name is 3-(4,4-dimethylpentyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-(4,4-dimethylpentyl)imidazolidine-2,4-dione
PubChem CID130318001
Molecular FormulaC10H18N2O2
Molecular Weight198.27 g/mol
Exact Mass198.14
IUPAC Name3-(4,4-dimethylpentyl)imidazolidine-2,4-dione
SMILESCC(C)(C)CCCN1C(=O)CNC1=O
InChIInChI=1S/C10H18N2O2/c1-10(2,3)5-4-6-12-8(13)7-11-9(12)14/h4-7H2,1-3H3,(H,11,14)
InChIKeyVXGBFTFSUNXCJL-UHFFFAOYSA-N
XLogP1.36
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(4,4-dimethylpentyl)imidazolidine-2,4-dione?
The IUPAC name of 3-(4,4-dimethylpentyl)imidazolidine-2,4-dione (CID 130318001) is 3-(4,4-dimethylpentyl)imidazolidine-2,4-dione.
What is the SMILES notation for 3-(4,4-dimethylpentyl)imidazolidine-2,4-dione?
The canonical SMILES for 3-(4,4-dimethylpentyl)imidazolidine-2,4-dione is CC(C)(C)CCCN1C(=O)CNC1=O.
What is the InChIKey of 3-(4,4-dimethylpentyl)imidazolidine-2,4-dione?
The InChIKey is VXGBFTFSUNXCJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2/c1-10(2,3)5-4-6-12-8(13)7-11-9(12)14/h4-7H2,1-3H3,(H,11,14).
What are the key properties of 3-(4,4-dimethylpentyl)imidazolidine-2,4-dione?
3-(4,4-dimethylpentyl)imidazolidine-2,4-dione has a molecular weight of 198.27 g/mol, XLogP of 1.36, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,4-dimethylpentyl)imidazolidine-2,4-dione is sourced from PubChem (CID 130318001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).