5-(4-ethoxyphenyl)-3-(3-fluoro-4-methylphenyl)-1H-imidazol-2-one

C18H17FN2O2 — CID 4278722

IUPAC5-(4-ethoxyphenyl)-3-(3-fluoro-4-methylphenyl)-1H-imidazol-2-one
SMILESCCOc1ccc(-c2cn(-c3ccc(C)c(F)c3)c(=O)[nH]2)cc1
InChIInChI=1S/C18H17FN2O2/c1-3-23-15-8-5-13(6-9-15)17-11-21(18(22)20-17)14-7-4-12(2)16(19)10-14/h4-11H,3H2,1-2H3,(H,20,22)
InChIKeyADAREACJJFTUCJ-UHFFFAOYSA-N
MW312.34 g/mol
LogP3.68
Rot. Bonds4

About 5-(4-ethoxyphenyl)-3-(3-fluoro-4-methylphenyl)-1H-imidazol-2-one

5-(4-ethoxyphenyl)-3-(3-fluoro-4-methylphenyl)-1H-imidazol-2-one (PubChem CID 4278722) has the molecular formula C18H17FN2O2 and a molecular weight of 312.34 g/mol. Its IUPAC name is 5-(4-ethoxyphenyl)-3-(3-fluoro-4-methylphenyl)-1H-imidazol-2-one.

Molecular Properties

Compound Name5-(4-ethoxyphenyl)-3-(3-fluoro-4-methylphenyl)-1H-imidazol-2-one
PubChem CID4278722
Molecular FormulaC18H17FN2O2
Molecular Weight312.34 g/mol
Exact Mass312.13
IUPAC Name5-(4-ethoxyphenyl)-3-(3-fluoro-4-methylphenyl)-1H-imidazol-2-one
SMILESCCOc1ccc(-c2cn(-c3ccc(C)c(F)c3)c(=O)[nH]2)cc1
InChIInChI=1S/C18H17FN2O2/c1-3-23-15-8-5-13(6-9-15)17-11-21(18(22)20-17)14-7-4-12(2)16(19)10-14/h4-11H,3H2,1-2H3,(H,20,22)
InChIKeyADAREACJJFTUCJ-UHFFFAOYSA-N
XLogP3.68
TPSA47.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.34
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-(4-ethoxyphenyl)-3-(3-fluoro-4-methylphenyl)-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 5-(4-ethoxyphenyl)-3-(3-fluoro-4-methylphenyl)-1H-imidazol-2-one?
The IUPAC name of 5-(4-ethoxyphenyl)-3-(3-fluoro-4-methylphenyl)-1H-imidazol-2-one (CID 4278722) is 5-(4-ethoxyphenyl)-3-(3-fluoro-4-methylphenyl)-1H-imidazol-2-one.
What is the SMILES notation for 5-(4-ethoxyphenyl)-3-(3-fluoro-4-methylphenyl)-1H-imidazol-2-one?
The canonical SMILES for 5-(4-ethoxyphenyl)-3-(3-fluoro-4-methylphenyl)-1H-imidazol-2-one is CCOc1ccc(-c2cn(-c3ccc(C)c(F)c3)c(=O)[nH]2)cc1.
What is the InChIKey of 5-(4-ethoxyphenyl)-3-(3-fluoro-4-methylphenyl)-1H-imidazol-2-one?
The InChIKey is ADAREACJJFTUCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN2O2/c1-3-23-15-8-5-13(6-9-15)17-11-21(18(22)20-17)14-7-4-12(2)16(19)10-14/h4-11H,3H2,1-2H3,(H,20,22).
What are the key properties of 5-(4-ethoxyphenyl)-3-(3-fluoro-4-methylphenyl)-1H-imidazol-2-one?
5-(4-ethoxyphenyl)-3-(3-fluoro-4-methylphenyl)-1H-imidazol-2-one has a molecular weight of 312.34 g/mol, XLogP of 3.68, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-ethoxyphenyl)-3-(3-fluoro-4-methylphenyl)-1H-imidazol-2-one is sourced from PubChem (CID 4278722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).