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

C17H15ClN2O2 — CID 4278719

IUPAC3-(4-chlorophenyl)-5-(4-ethoxyphenyl)-1H-imidazol-2-one
SMILESCCOc1ccc(-c2cn(-c3ccc(Cl)cc3)c(=O)[nH]2)cc1
InChIInChI=1S/C17H15ClN2O2/c1-2-22-15-9-3-12(4-10-15)16-11-20(17(21)19-16)14-7-5-13(18)6-8-14/h3-11H,2H2,1H3,(H,19,21)
InChIKeyDBSITJBZDCYJQF-UHFFFAOYSA-N
MW314.77 g/mol
LogP3.88
Rot. Bonds4

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

3-(4-chlorophenyl)-5-(4-ethoxyphenyl)-1H-imidazol-2-one (PubChem CID 4278719) has the molecular formula C17H15ClN2O2 and a molecular weight of 314.77 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-5-(4-ethoxyphenyl)-1H-imidazol-2-one.

Molecular Properties

Compound Name3-(4-chlorophenyl)-5-(4-ethoxyphenyl)-1H-imidazol-2-one
PubChem CID4278719
Molecular FormulaC17H15ClN2O2
Molecular Weight314.77 g/mol
Exact Mass314.08
IUPAC Name3-(4-chlorophenyl)-5-(4-ethoxyphenyl)-1H-imidazol-2-one
SMILESCCOc1ccc(-c2cn(-c3ccc(Cl)cc3)c(=O)[nH]2)cc1
InChIInChI=1S/C17H15ClN2O2/c1-2-22-15-9-3-12(4-10-15)16-11-20(17(21)19-16)14-7-5-13(18)6-8-14/h3-11H,2H2,1H3,(H,19,21)
InChIKeyDBSITJBZDCYJQF-UHFFFAOYSA-N
XLogP3.88
TPSA47.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.77
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-5-(4-ethoxyphenyl)-1H-imidazol-2-one?
The IUPAC name of 3-(4-chlorophenyl)-5-(4-ethoxyphenyl)-1H-imidazol-2-one (CID 4278719) is 3-(4-chlorophenyl)-5-(4-ethoxyphenyl)-1H-imidazol-2-one.
What is the SMILES notation for 3-(4-chlorophenyl)-5-(4-ethoxyphenyl)-1H-imidazol-2-one?
The canonical SMILES for 3-(4-chlorophenyl)-5-(4-ethoxyphenyl)-1H-imidazol-2-one is CCOc1ccc(-c2cn(-c3ccc(Cl)cc3)c(=O)[nH]2)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-5-(4-ethoxyphenyl)-1H-imidazol-2-one?
The InChIKey is DBSITJBZDCYJQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2O2/c1-2-22-15-9-3-12(4-10-15)16-11-20(17(21)19-16)14-7-5-13(18)6-8-14/h3-11H,2H2,1H3,(H,19,21).
What are the key properties of 3-(4-chlorophenyl)-5-(4-ethoxyphenyl)-1H-imidazol-2-one?
3-(4-chlorophenyl)-5-(4-ethoxyphenyl)-1H-imidazol-2-one has a molecular weight of 314.77 g/mol, XLogP of 3.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-5-(4-ethoxyphenyl)-1H-imidazol-2-one is sourced from PubChem (CID 4278719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).