phenyl 2-(2-ethoxy-3-oxo-1H-imidazo[1,5-a]indol-1-yl)acetate

C20H18N2O4 — CID 175177902

IUPACphenyl 2-(2-ethoxy-3-oxo-1H-imidazo[1,5-a]indol-1-yl)acetate
SMILESCCON1C(=O)c2cc3ccccc3n2C1CC(=O)Oc1ccccc1
InChIInChI=1S/C20H18N2O4/c1-2-25-22-18(13-19(23)26-15-9-4-3-5-10-15)21-16-11-7-6-8-14(16)12-17(21)20(22)24/h3-12,18H,2,13H2,1H3
InChIKeyFILICWPLXXLTBT-UHFFFAOYSA-N
MW350.37 g/mol
LogP3.54
Rot. Bonds5

About phenyl 2-(2-ethoxy-3-oxo-1H-imidazo[1,5-a]indol-1-yl)acetate

phenyl 2-(2-ethoxy-3-oxo-1H-imidazo[1,5-a]indol-1-yl)acetate (PubChem CID 175177902) has the molecular formula C20H18N2O4 and a molecular weight of 350.37 g/mol. Its IUPAC name is phenyl 2-(2-ethoxy-3-oxo-1H-imidazo[1,5-a]indol-1-yl)acetate.

Molecular Properties

Compound Namephenyl 2-(2-ethoxy-3-oxo-1H-imidazo[1,5-a]indol-1-yl)acetate
PubChem CID175177902
Molecular FormulaC20H18N2O4
Molecular Weight350.37 g/mol
Exact Mass350.13
IUPAC Namephenyl 2-(2-ethoxy-3-oxo-1H-imidazo[1,5-a]indol-1-yl)acetate
SMILESCCON1C(=O)c2cc3ccccc3n2C1CC(=O)Oc1ccccc1
InChIInChI=1S/C20H18N2O4/c1-2-25-22-18(13-19(23)26-15-9-4-3-5-10-15)21-16-11-7-6-8-14(16)12-17(21)20(22)24/h3-12,18H,2,13H2,1H3
InChIKeyFILICWPLXXLTBT-UHFFFAOYSA-N
XLogP3.54
TPSA60.77 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.37
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of phenyl 2-(2-ethoxy-3-oxo-1H-imidazo[1,5-a]indol-1-yl)acetate?
The IUPAC name of phenyl 2-(2-ethoxy-3-oxo-1H-imidazo[1,5-a]indol-1-yl)acetate (CID 175177902) is phenyl 2-(2-ethoxy-3-oxo-1H-imidazo[1,5-a]indol-1-yl)acetate.
What is the SMILES notation for phenyl 2-(2-ethoxy-3-oxo-1H-imidazo[1,5-a]indol-1-yl)acetate?
The canonical SMILES for phenyl 2-(2-ethoxy-3-oxo-1H-imidazo[1,5-a]indol-1-yl)acetate is CCON1C(=O)c2cc3ccccc3n2C1CC(=O)Oc1ccccc1.
What is the InChIKey of phenyl 2-(2-ethoxy-3-oxo-1H-imidazo[1,5-a]indol-1-yl)acetate?
The InChIKey is FILICWPLXXLTBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O4/c1-2-25-22-18(13-19(23)26-15-9-4-3-5-10-15)21-16-11-7-6-8-14(16)12-17(21)20(22)24/h3-12,18H,2,13H2,1H3.
What are the key properties of phenyl 2-(2-ethoxy-3-oxo-1H-imidazo[1,5-a]indol-1-yl)acetate?
phenyl 2-(2-ethoxy-3-oxo-1H-imidazo[1,5-a]indol-1-yl)acetate has a molecular weight of 350.37 g/mol, XLogP of 3.54, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl 2-(2-ethoxy-3-oxo-1H-imidazo[1,5-a]indol-1-yl)acetate is sourced from PubChem (CID 175177902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).