(4-fluorophenyl) 2-(2-methoxy-3-oxo-1H-imidazo[1,5-a]indol-1-yl)acetate

C19H15FN2O4 — CID 175180763

IUPAC(4-fluorophenyl) 2-(2-methoxy-3-oxo-1H-imidazo[1,5-a]indol-1-yl)acetate
SMILESCON1C(=O)c2cc3ccccc3n2C1CC(=O)Oc1ccc(F)cc1
InChIInChI=1S/C19H15FN2O4/c1-25-22-17(11-18(23)26-14-8-6-13(20)7-9-14)21-15-5-3-2-4-12(15)10-16(21)19(22)24/h2-10,17H,11H2,1H3
InChIKeyMSDHCLHOSLVPCS-UHFFFAOYSA-N
MW354.34 g/mol
LogP3.29
Rot. Bonds4

About (4-fluorophenyl) 2-(2-methoxy-3-oxo-1H-imidazo[1,5-a]indol-1-yl)acetate

(4-fluorophenyl) 2-(2-methoxy-3-oxo-1H-imidazo[1,5-a]indol-1-yl)acetate (PubChem CID 175180763) has the molecular formula C19H15FN2O4 and a molecular weight of 354.34 g/mol. Its IUPAC name is (4-fluorophenyl) 2-(2-methoxy-3-oxo-1H-imidazo[1,5-a]indol-1-yl)acetate.

Molecular Properties

Compound Name(4-fluorophenyl) 2-(2-methoxy-3-oxo-1H-imidazo[1,5-a]indol-1-yl)acetate
PubChem CID175180763
Molecular FormulaC19H15FN2O4
Molecular Weight354.34 g/mol
Exact Mass354.10
IUPAC Name(4-fluorophenyl) 2-(2-methoxy-3-oxo-1H-imidazo[1,5-a]indol-1-yl)acetate
SMILESCON1C(=O)c2cc3ccccc3n2C1CC(=O)Oc1ccc(F)cc1
InChIInChI=1S/C19H15FN2O4/c1-25-22-17(11-18(23)26-14-8-6-13(20)7-9-14)21-15-5-3-2-4-12(15)10-16(21)19(22)24/h2-10,17H,11H2,1H3
InChIKeyMSDHCLHOSLVPCS-UHFFFAOYSA-N
XLogP3.29
TPSA60.77 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.34
LogP ≤ 53.29
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 (4-fluorophenyl) 2-(2-methoxy-3-oxo-1H-imidazo[1,5-a]indol-1-yl)acetate?
The IUPAC name of (4-fluorophenyl) 2-(2-methoxy-3-oxo-1H-imidazo[1,5-a]indol-1-yl)acetate (CID 175180763) is (4-fluorophenyl) 2-(2-methoxy-3-oxo-1H-imidazo[1,5-a]indol-1-yl)acetate.
What is the SMILES notation for (4-fluorophenyl) 2-(2-methoxy-3-oxo-1H-imidazo[1,5-a]indol-1-yl)acetate?
The canonical SMILES for (4-fluorophenyl) 2-(2-methoxy-3-oxo-1H-imidazo[1,5-a]indol-1-yl)acetate is CON1C(=O)c2cc3ccccc3n2C1CC(=O)Oc1ccc(F)cc1.
What is the InChIKey of (4-fluorophenyl) 2-(2-methoxy-3-oxo-1H-imidazo[1,5-a]indol-1-yl)acetate?
The InChIKey is MSDHCLHOSLVPCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN2O4/c1-25-22-17(11-18(23)26-14-8-6-13(20)7-9-14)21-15-5-3-2-4-12(15)10-16(21)19(22)24/h2-10,17H,11H2,1H3.
What are the key properties of (4-fluorophenyl) 2-(2-methoxy-3-oxo-1H-imidazo[1,5-a]indol-1-yl)acetate?
(4-fluorophenyl) 2-(2-methoxy-3-oxo-1H-imidazo[1,5-a]indol-1-yl)acetate has a molecular weight of 354.34 g/mol, XLogP of 3.29, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl) 2-(2-methoxy-3-oxo-1H-imidazo[1,5-a]indol-1-yl)acetate is sourced from PubChem (CID 175180763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).