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

C19H15FN2O4 — CID 162355918

IUPAC(4-fluorophenyl) 2-(2-methoxy-1-oxo-3H-imidazo[1,5-a]indol-3-yl)acetate
SMILESCON1C(=O)n2c(cc3ccccc32)C1CC(=O)Oc1ccc(F)cc1
InChIInChI=1S/C19H15FN2O4/c1-25-22-17(11-18(23)26-14-8-6-13(20)7-9-14)16-10-12-4-2-3-5-15(12)21(16)19(22)24/h2-10,17H,11H2,1H3
InChIKeyGIKLVPNJXJGUOU-UHFFFAOYSA-N
MW354.34 g/mol
LogP3.66
Rot. Bonds4

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

(4-fluorophenyl) 2-(2-methoxy-1-oxo-3H-imidazo[1,5-a]indol-3-yl)acetate (PubChem CID 162355918) has the molecular formula C19H15FN2O4 and a molecular weight of 354.34 g/mol. Its IUPAC name is (4-fluorophenyl) 2-(2-methoxy-1-oxo-3H-imidazo[1,5-a]indol-3-yl)acetate.

Molecular Properties

Compound Name(4-fluorophenyl) 2-(2-methoxy-1-oxo-3H-imidazo[1,5-a]indol-3-yl)acetate
PubChem CID162355918
Molecular FormulaC19H15FN2O4
Molecular Weight354.34 g/mol
Exact Mass354.10
IUPAC Name(4-fluorophenyl) 2-(2-methoxy-1-oxo-3H-imidazo[1,5-a]indol-3-yl)acetate
SMILESCON1C(=O)n2c(cc3ccccc32)C1CC(=O)Oc1ccc(F)cc1
InChIInChI=1S/C19H15FN2O4/c1-25-22-17(11-18(23)26-14-8-6-13(20)7-9-14)16-10-12-4-2-3-5-15(12)21(16)19(22)24/h2-10,17H,11H2,1H3
InChIKeyGIKLVPNJXJGUOU-UHFFFAOYSA-N
XLogP3.66
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 ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

CID 158103700
CID 158103700
CID 162355859
CID 162355859
CID 162355860
CID 162355860
CID 162355877
CID 162355877
CID 162355878
CID 162355878
CID 162355888
CID 162355888
CID 162355919
CID 162355919
CID 175170927
CID 175170927
CID 175172287
CID 175172287
CID 175177809
CID 175177809
CID 175180763
CID 175180763
CID 162355856
CID 162355856

Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl) 2-(2-methoxy-1-oxo-3H-imidazo[1,5-a]indol-3-yl)acetate?
The IUPAC name of (4-fluorophenyl) 2-(2-methoxy-1-oxo-3H-imidazo[1,5-a]indol-3-yl)acetate (CID 162355918) is (4-fluorophenyl) 2-(2-methoxy-1-oxo-3H-imidazo[1,5-a]indol-3-yl)acetate.
What is the SMILES notation for (4-fluorophenyl) 2-(2-methoxy-1-oxo-3H-imidazo[1,5-a]indol-3-yl)acetate?
The canonical SMILES for (4-fluorophenyl) 2-(2-methoxy-1-oxo-3H-imidazo[1,5-a]indol-3-yl)acetate is CON1C(=O)n2c(cc3ccccc32)C1CC(=O)Oc1ccc(F)cc1.
What is the InChIKey of (4-fluorophenyl) 2-(2-methoxy-1-oxo-3H-imidazo[1,5-a]indol-3-yl)acetate?
The InChIKey is GIKLVPNJXJGUOU-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)16-10-12-4-2-3-5-15(12)21(16)19(22)24/h2-10,17H,11H2,1H3.
What are the key properties of (4-fluorophenyl) 2-(2-methoxy-1-oxo-3H-imidazo[1,5-a]indol-3-yl)acetate?
(4-fluorophenyl) 2-(2-methoxy-1-oxo-3H-imidazo[1,5-a]indol-3-yl)acetate has a molecular weight of 354.34 g/mol, XLogP of 3.66, 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-1-oxo-3H-imidazo[1,5-a]indol-3-yl)acetate is sourced from PubChem (CID 162355918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).