3-[4-(2,2,3,3,4,4,5,5-octafluoropentoxy)phenyl]-1H-imidazol-2-one

C14H10F8N2O2 — CID 19373678

IUPAC3-[4-(2,2,3,3,4,4,5,5-octafluoropentoxy)phenyl]-1H-imidazol-2-one
SMILESO=c1[nH]ccn1-c1ccc(OCC(F)(F)C(F)(F)C(F)(F)C(F)F)cc1
InChIInChI=1S/C14H10F8N2O2/c15-10(16)13(19,20)14(21,22)12(17,18)7-26-9-3-1-8(2-4-9)24-6-5-23-11(24)25/h1-6,10H,7H2,(H,23,25)
InChIKeyGMBYGRUPWPSDTC-UHFFFAOYSA-N
MW390.23 g/mol
LogP3.72
Rot. Bonds7

About 3-[4-(2,2,3,3,4,4,5,5-octafluoropentoxy)phenyl]-1H-imidazol-2-one

3-[4-(2,2,3,3,4,4,5,5-octafluoropentoxy)phenyl]-1H-imidazol-2-one (PubChem CID 19373678) has the molecular formula C14H10F8N2O2 and a molecular weight of 390.23 g/mol. Its IUPAC name is 3-[4-(2,2,3,3,4,4,5,5-octafluoropentoxy)phenyl]-1H-imidazol-2-one.

Molecular Properties

Compound Name3-[4-(2,2,3,3,4,4,5,5-octafluoropentoxy)phenyl]-1H-imidazol-2-one
PubChem CID19373678
Molecular FormulaC14H10F8N2O2
Molecular Weight390.23 g/mol
Exact Mass390.06
IUPAC Name3-[4-(2,2,3,3,4,4,5,5-octafluoropentoxy)phenyl]-1H-imidazol-2-one
SMILESO=c1[nH]ccn1-c1ccc(OCC(F)(F)C(F)(F)C(F)(F)C(F)F)cc1
InChIInChI=1S/C14H10F8N2O2/c15-10(16)13(19,20)14(21,22)12(17,18)7-26-9-3-1-8(2-4-9)24-6-5-23-11(24)25/h1-6,10H,7H2,(H,23,25)
InChIKeyGMBYGRUPWPSDTC-UHFFFAOYSA-N
XLogP3.72
TPSA47.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.23
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-[4-(2,2,3,3,4,4,5,5-octafluoropentoxy)phenyl]-1H-imidazol-2-one 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 3-[4-(2,2,3,3,4,4,5,5-octafluoropentoxy)phenyl]-1H-imidazol-2-one?
The IUPAC name of 3-[4-(2,2,3,3,4,4,5,5-octafluoropentoxy)phenyl]-1H-imidazol-2-one (CID 19373678) is 3-[4-(2,2,3,3,4,4,5,5-octafluoropentoxy)phenyl]-1H-imidazol-2-one.
What is the SMILES notation for 3-[4-(2,2,3,3,4,4,5,5-octafluoropentoxy)phenyl]-1H-imidazol-2-one?
The canonical SMILES for 3-[4-(2,2,3,3,4,4,5,5-octafluoropentoxy)phenyl]-1H-imidazol-2-one is O=c1[nH]ccn1-c1ccc(OCC(F)(F)C(F)(F)C(F)(F)C(F)F)cc1.
What is the InChIKey of 3-[4-(2,2,3,3,4,4,5,5-octafluoropentoxy)phenyl]-1H-imidazol-2-one?
The InChIKey is GMBYGRUPWPSDTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F8N2O2/c15-10(16)13(19,20)14(21,22)12(17,18)7-26-9-3-1-8(2-4-9)24-6-5-23-11(24)25/h1-6,10H,7H2,(H,23,25).
What are the key properties of 3-[4-(2,2,3,3,4,4,5,5-octafluoropentoxy)phenyl]-1H-imidazol-2-one?
3-[4-(2,2,3,3,4,4,5,5-octafluoropentoxy)phenyl]-1H-imidazol-2-one has a molecular weight of 390.23 g/mol, XLogP of 3.72, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2,2,3,3,4,4,5,5-octafluoropentoxy)phenyl]-1H-imidazol-2-one is sourced from PubChem (CID 19373678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).