2-[2,5-dioxo-4-[2-[4-(trifluoromethyl)phenyl]ethyl]imidazolidin-4-yl]cyclopropane-1-carboxylic acid

C16H15F3N2O4 — CID 19702184

IUPAC2-[2,5-dioxo-4-[2-[4-(trifluoromethyl)phenyl]ethyl]imidazolidin-4-yl]cyclopropane-1-carboxylic acid
SMILESO=C1NC(=O)C(CCc2ccc(C(F)(F)F)cc2)(C2CC2C(=O)O)N1
InChIInChI=1S/C16H15F3N2O4/c17-16(18,19)9-3-1-8(2-4-9)5-6-15(11-7-10(11)12(22)23)13(24)20-14(25)21-15/h1-4,10-11H,5-7H2,(H,22,23)(H2,20,21,24,25)
InChIKeyPJOSXJGOMLHDEH-UHFFFAOYSA-N
MW356.30 g/mol
LogP1.94
Rot. Bonds5

About 2-[2,5-dioxo-4-[2-[4-(trifluoromethyl)phenyl]ethyl]imidazolidin-4-yl]cyclopropane-1-carboxylic acid

2-[2,5-dioxo-4-[2-[4-(trifluoromethyl)phenyl]ethyl]imidazolidin-4-yl]cyclopropane-1-carboxylic acid (PubChem CID 19702184) has the molecular formula C16H15F3N2O4 and a molecular weight of 356.30 g/mol. Its IUPAC name is 2-[2,5-dioxo-4-[2-[4-(trifluoromethyl)phenyl]ethyl]imidazolidin-4-yl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-[2,5-dioxo-4-[2-[4-(trifluoromethyl)phenyl]ethyl]imidazolidin-4-yl]cyclopropane-1-carboxylic acid
PubChem CID19702184
Molecular FormulaC16H15F3N2O4
Molecular Weight356.30 g/mol
Exact Mass356.10
IUPAC Name2-[2,5-dioxo-4-[2-[4-(trifluoromethyl)phenyl]ethyl]imidazolidin-4-yl]cyclopropane-1-carboxylic acid
SMILESO=C1NC(=O)C(CCc2ccc(C(F)(F)F)cc2)(C2CC2C(=O)O)N1
InChIInChI=1S/C16H15F3N2O4/c17-16(18,19)9-3-1-8(2-4-9)5-6-15(11-7-10(11)12(22)23)13(24)20-14(25)21-15/h1-4,10-11H,5-7H2,(H,22,23)(H2,20,21,24,25)
InChIKeyPJOSXJGOMLHDEH-UHFFFAOYSA-N
XLogP1.94
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.30
LogP ≤ 51.94
H-Bond Donors ≤ 53
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 2-[2,5-dioxo-4-[2-[4-(trifluoromethyl)phenyl]ethyl]imidazolidin-4-yl]cyclopropane-1-carboxylic acid?
The IUPAC name of 2-[2,5-dioxo-4-[2-[4-(trifluoromethyl)phenyl]ethyl]imidazolidin-4-yl]cyclopropane-1-carboxylic acid (CID 19702184) is 2-[2,5-dioxo-4-[2-[4-(trifluoromethyl)phenyl]ethyl]imidazolidin-4-yl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-[2,5-dioxo-4-[2-[4-(trifluoromethyl)phenyl]ethyl]imidazolidin-4-yl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 2-[2,5-dioxo-4-[2-[4-(trifluoromethyl)phenyl]ethyl]imidazolidin-4-yl]cyclopropane-1-carboxylic acid is O=C1NC(=O)C(CCc2ccc(C(F)(F)F)cc2)(C2CC2C(=O)O)N1.
What is the InChIKey of 2-[2,5-dioxo-4-[2-[4-(trifluoromethyl)phenyl]ethyl]imidazolidin-4-yl]cyclopropane-1-carboxylic acid?
The InChIKey is PJOSXJGOMLHDEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3N2O4/c17-16(18,19)9-3-1-8(2-4-9)5-6-15(11-7-10(11)12(22)23)13(24)20-14(25)21-15/h1-4,10-11H,5-7H2,(H,22,23)(H2,20,21,24,25).
What are the key properties of 2-[2,5-dioxo-4-[2-[4-(trifluoromethyl)phenyl]ethyl]imidazolidin-4-yl]cyclopropane-1-carboxylic acid?
2-[2,5-dioxo-4-[2-[4-(trifluoromethyl)phenyl]ethyl]imidazolidin-4-yl]cyclopropane-1-carboxylic acid has a molecular weight of 356.30 g/mol, XLogP of 1.94, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,5-dioxo-4-[2-[4-(trifluoromethyl)phenyl]ethyl]imidazolidin-4-yl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 19702184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).