2-[2,5-dioxo-4-[2-(2,3,4,5,6-pentafluorophenyl)ethyl]imidazolidin-4-yl]cyclopropane-1-carboxylic acid

C15H11F5N2O4 — CID 19702172

IUPAC2-[2,5-dioxo-4-[2-(2,3,4,5,6-pentafluorophenyl)ethyl]imidazolidin-4-yl]cyclopropane-1-carboxylic acid
SMILESO=C1NC(=O)C(CCc2c(F)c(F)c(F)c(F)c2F)(C2CC2C(=O)O)N1
InChIInChI=1S/C15H11F5N2O4/c16-7-4(8(17)10(19)11(20)9(7)18)1-2-15(6-3-5(6)12(23)24)13(25)21-14(26)22-15/h5-6H,1-3H2,(H,23,24)(H2,21,22,25,26)
InChIKeyXZGYDMRFVRTPLV-UHFFFAOYSA-N
MW378.25 g/mol
LogP1.61
Rot. Bonds5

About 2-[2,5-dioxo-4-[2-(2,3,4,5,6-pentafluorophenyl)ethyl]imidazolidin-4-yl]cyclopropane-1-carboxylic acid

2-[2,5-dioxo-4-[2-(2,3,4,5,6-pentafluorophenyl)ethyl]imidazolidin-4-yl]cyclopropane-1-carboxylic acid (PubChem CID 19702172) has the molecular formula C15H11F5N2O4 and a molecular weight of 378.25 g/mol. Its IUPAC name is 2-[2,5-dioxo-4-[2-(2,3,4,5,6-pentafluorophenyl)ethyl]imidazolidin-4-yl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-[2,5-dioxo-4-[2-(2,3,4,5,6-pentafluorophenyl)ethyl]imidazolidin-4-yl]cyclopropane-1-carboxylic acid
PubChem CID19702172
Molecular FormulaC15H11F5N2O4
Molecular Weight378.25 g/mol
Exact Mass378.06
IUPAC Name2-[2,5-dioxo-4-[2-(2,3,4,5,6-pentafluorophenyl)ethyl]imidazolidin-4-yl]cyclopropane-1-carboxylic acid
SMILESO=C1NC(=O)C(CCc2c(F)c(F)c(F)c(F)c2F)(C2CC2C(=O)O)N1
InChIInChI=1S/C15H11F5N2O4/c16-7-4(8(17)10(19)11(20)9(7)18)1-2-15(6-3-5(6)12(23)24)13(25)21-14(26)22-15/h5-6H,1-3H2,(H,23,24)(H2,21,22,25,26)
InChIKeyXZGYDMRFVRTPLV-UHFFFAOYSA-N
XLogP1.61
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.25
LogP ≤ 51.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}

Analyze 2-[2,5-dioxo-4-[2-(2,3,4,5,6-pentafluorophenyl)ethyl]imidazolidin-4-yl]cyclopropane-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[2,5-dioxo-4-[2-(2,3,4,5,6-pentafluorophenyl)ethyl]imidazolidin-4-yl]cyclopropane-1-carboxylic acid?
The IUPAC name of 2-[2,5-dioxo-4-[2-(2,3,4,5,6-pentafluorophenyl)ethyl]imidazolidin-4-yl]cyclopropane-1-carboxylic acid (CID 19702172) is 2-[2,5-dioxo-4-[2-(2,3,4,5,6-pentafluorophenyl)ethyl]imidazolidin-4-yl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-[2,5-dioxo-4-[2-(2,3,4,5,6-pentafluorophenyl)ethyl]imidazolidin-4-yl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 2-[2,5-dioxo-4-[2-(2,3,4,5,6-pentafluorophenyl)ethyl]imidazolidin-4-yl]cyclopropane-1-carboxylic acid is O=C1NC(=O)C(CCc2c(F)c(F)c(F)c(F)c2F)(C2CC2C(=O)O)N1.
What is the InChIKey of 2-[2,5-dioxo-4-[2-(2,3,4,5,6-pentafluorophenyl)ethyl]imidazolidin-4-yl]cyclopropane-1-carboxylic acid?
The InChIKey is XZGYDMRFVRTPLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F5N2O4/c16-7-4(8(17)10(19)11(20)9(7)18)1-2-15(6-3-5(6)12(23)24)13(25)21-14(26)22-15/h5-6H,1-3H2,(H,23,24)(H2,21,22,25,26).
What are the key properties of 2-[2,5-dioxo-4-[2-(2,3,4,5,6-pentafluorophenyl)ethyl]imidazolidin-4-yl]cyclopropane-1-carboxylic acid?
2-[2,5-dioxo-4-[2-(2,3,4,5,6-pentafluorophenyl)ethyl]imidazolidin-4-yl]cyclopropane-1-carboxylic acid has a molecular weight of 378.25 g/mol, XLogP of 1.61, 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-(2,3,4,5,6-pentafluorophenyl)ethyl]imidazolidin-4-yl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 19702172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).