1-propyl-3-[4-(trifluoromethoxy)phenyl]imidazolidine-2,4-dione

C13H13F3N2O3 — CID 115564944

IUPAC1-propyl-3-[4-(trifluoromethoxy)phenyl]imidazolidine-2,4-dione
SMILESCCCN1CC(=O)N(c2ccc(OC(F)(F)F)cc2)C1=O
InChIInChI=1S/C13H13F3N2O3/c1-2-7-17-8-11(19)18(12(17)20)9-3-5-10(6-4-9)21-13(14,15)16/h3-6H,2,7-8H2,1H3
InChIKeyVHGUAQNJIAGZGX-UHFFFAOYSA-N
MW302.25 g/mol
LogP2.76
Rot. Bonds4

About 1-propyl-3-[4-(trifluoromethoxy)phenyl]imidazolidine-2,4-dione

1-propyl-3-[4-(trifluoromethoxy)phenyl]imidazolidine-2,4-dione (PubChem CID 115564944) has the molecular formula C13H13F3N2O3 and a molecular weight of 302.25 g/mol. Its IUPAC name is 1-propyl-3-[4-(trifluoromethoxy)phenyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name1-propyl-3-[4-(trifluoromethoxy)phenyl]imidazolidine-2,4-dione
PubChem CID115564944
Molecular FormulaC13H13F3N2O3
Molecular Weight302.25 g/mol
Exact Mass302.09
IUPAC Name1-propyl-3-[4-(trifluoromethoxy)phenyl]imidazolidine-2,4-dione
SMILESCCCN1CC(=O)N(c2ccc(OC(F)(F)F)cc2)C1=O
InChIInChI=1S/C13H13F3N2O3/c1-2-7-17-8-11(19)18(12(17)20)9-3-5-10(6-4-9)21-13(14,15)16/h3-6H,2,7-8H2,1H3
InChIKeyVHGUAQNJIAGZGX-UHFFFAOYSA-N
XLogP2.76
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.25
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-propyl-3-[4-(trifluoromethoxy)phenyl]imidazolidine-2,4-dione?
The IUPAC name of 1-propyl-3-[4-(trifluoromethoxy)phenyl]imidazolidine-2,4-dione (CID 115564944) is 1-propyl-3-[4-(trifluoromethoxy)phenyl]imidazolidine-2,4-dione.
What is the SMILES notation for 1-propyl-3-[4-(trifluoromethoxy)phenyl]imidazolidine-2,4-dione?
The canonical SMILES for 1-propyl-3-[4-(trifluoromethoxy)phenyl]imidazolidine-2,4-dione is CCCN1CC(=O)N(c2ccc(OC(F)(F)F)cc2)C1=O.
What is the InChIKey of 1-propyl-3-[4-(trifluoromethoxy)phenyl]imidazolidine-2,4-dione?
The InChIKey is VHGUAQNJIAGZGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3N2O3/c1-2-7-17-8-11(19)18(12(17)20)9-3-5-10(6-4-9)21-13(14,15)16/h3-6H,2,7-8H2,1H3.
What are the key properties of 1-propyl-3-[4-(trifluoromethoxy)phenyl]imidazolidine-2,4-dione?
1-propyl-3-[4-(trifluoromethoxy)phenyl]imidazolidine-2,4-dione has a molecular weight of 302.25 g/mol, XLogP of 2.76, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propyl-3-[4-(trifluoromethoxy)phenyl]imidazolidine-2,4-dione is sourced from PubChem (CID 115564944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).