3-(3,3-dimethylpentyl)-1-(3-fluorobutyl)imidazolidine-2,4-dione

C14H25FN2O2 — CID 167906911

IUPAC3-(3,3-dimethylpentyl)-1-(3-fluorobutyl)imidazolidine-2,4-dione
SMILESCCC(C)(C)CCN1C(=O)CN(CCC(C)F)C1=O
InChIInChI=1S/C14H25FN2O2/c1-5-14(3,4)7-9-17-12(18)10-16(13(17)19)8-6-11(2)15/h11H,5-10H2,1-4H3
InChIKeyUMKXXMNMSQYHER-UHFFFAOYSA-N
MW272.36 g/mol
LogP2.83
Rot. Bonds7

About 3-(3,3-dimethylpentyl)-1-(3-fluorobutyl)imidazolidine-2,4-dione

3-(3,3-dimethylpentyl)-1-(3-fluorobutyl)imidazolidine-2,4-dione (PubChem CID 167906911) has the molecular formula C14H25FN2O2 and a molecular weight of 272.36 g/mol. Its IUPAC name is 3-(3,3-dimethylpentyl)-1-(3-fluorobutyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-(3,3-dimethylpentyl)-1-(3-fluorobutyl)imidazolidine-2,4-dione
PubChem CID167906911
Molecular FormulaC14H25FN2O2
Molecular Weight272.36 g/mol
Exact Mass272.19
IUPAC Name3-(3,3-dimethylpentyl)-1-(3-fluorobutyl)imidazolidine-2,4-dione
SMILESCCC(C)(C)CCN1C(=O)CN(CCC(C)F)C1=O
InChIInChI=1S/C14H25FN2O2/c1-5-14(3,4)7-9-17-12(18)10-16(13(17)19)8-6-11(2)15/h11H,5-10H2,1-4H3
InChIKeyUMKXXMNMSQYHER-UHFFFAOYSA-N
XLogP2.83
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.36
LogP ≤ 52.83
H-Bond Donors ≤ 50
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-(3,3-dimethylpentyl)-1-(3-fluorobutyl)imidazolidine-2,4-dione?
The IUPAC name of 3-(3,3-dimethylpentyl)-1-(3-fluorobutyl)imidazolidine-2,4-dione (CID 167906911) is 3-(3,3-dimethylpentyl)-1-(3-fluorobutyl)imidazolidine-2,4-dione.
What is the SMILES notation for 3-(3,3-dimethylpentyl)-1-(3-fluorobutyl)imidazolidine-2,4-dione?
The canonical SMILES for 3-(3,3-dimethylpentyl)-1-(3-fluorobutyl)imidazolidine-2,4-dione is CCC(C)(C)CCN1C(=O)CN(CCC(C)F)C1=O.
What is the InChIKey of 3-(3,3-dimethylpentyl)-1-(3-fluorobutyl)imidazolidine-2,4-dione?
The InChIKey is UMKXXMNMSQYHER-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25FN2O2/c1-5-14(3,4)7-9-17-12(18)10-16(13(17)19)8-6-11(2)15/h11H,5-10H2,1-4H3.
What are the key properties of 3-(3,3-dimethylpentyl)-1-(3-fluorobutyl)imidazolidine-2,4-dione?
3-(3,3-dimethylpentyl)-1-(3-fluorobutyl)imidazolidine-2,4-dione has a molecular weight of 272.36 g/mol, XLogP of 2.83, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,3-dimethylpentyl)-1-(3-fluorobutyl)imidazolidine-2,4-dione is sourced from PubChem (CID 167906911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).