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

C20H18N2O4 — CID 175180617

IUPAC(4-methylphenyl) 2-(2-methoxy-3-oxo-1H-imidazo[1,5-a]indol-1-yl)acetate
SMILESCON1C(=O)c2cc3ccccc3n2C1CC(=O)Oc1ccc(C)cc1
InChIInChI=1S/C20H18N2O4/c1-13-7-9-15(10-8-13)26-19(23)12-18-21-16-6-4-3-5-14(16)11-17(21)20(24)22(18)25-2/h3-11,18H,12H2,1-2H3
InChIKeyFZDHECGXIDRLTG-UHFFFAOYSA-N
MW350.37 g/mol
LogP3.46
Rot. Bonds4

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

(4-methylphenyl) 2-(2-methoxy-3-oxo-1H-imidazo[1,5-a]indol-1-yl)acetate (PubChem CID 175180617) has the molecular formula C20H18N2O4 and a molecular weight of 350.37 g/mol. Its IUPAC name is (4-methylphenyl) 2-(2-methoxy-3-oxo-1H-imidazo[1,5-a]indol-1-yl)acetate.

Molecular Properties

Compound Name(4-methylphenyl) 2-(2-methoxy-3-oxo-1H-imidazo[1,5-a]indol-1-yl)acetate
PubChem CID175180617
Molecular FormulaC20H18N2O4
Molecular Weight350.37 g/mol
Exact Mass350.13
IUPAC Name(4-methylphenyl) 2-(2-methoxy-3-oxo-1H-imidazo[1,5-a]indol-1-yl)acetate
SMILESCON1C(=O)c2cc3ccccc3n2C1CC(=O)Oc1ccc(C)cc1
InChIInChI=1S/C20H18N2O4/c1-13-7-9-15(10-8-13)26-19(23)12-18-21-16-6-4-3-5-14(16)11-17(21)20(24)22(18)25-2/h3-11,18H,12H2,1-2H3
InChIKeyFZDHECGXIDRLTG-UHFFFAOYSA-N
XLogP3.46
TPSA60.77 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.37
LogP ≤ 53.46
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-methylphenyl) 2-(2-methoxy-3-oxo-1H-imidazo[1,5-a]indol-1-yl)acetate?
The IUPAC name of (4-methylphenyl) 2-(2-methoxy-3-oxo-1H-imidazo[1,5-a]indol-1-yl)acetate (CID 175180617) is (4-methylphenyl) 2-(2-methoxy-3-oxo-1H-imidazo[1,5-a]indol-1-yl)acetate.
What is the SMILES notation for (4-methylphenyl) 2-(2-methoxy-3-oxo-1H-imidazo[1,5-a]indol-1-yl)acetate?
The canonical SMILES for (4-methylphenyl) 2-(2-methoxy-3-oxo-1H-imidazo[1,5-a]indol-1-yl)acetate is CON1C(=O)c2cc3ccccc3n2C1CC(=O)Oc1ccc(C)cc1.
What is the InChIKey of (4-methylphenyl) 2-(2-methoxy-3-oxo-1H-imidazo[1,5-a]indol-1-yl)acetate?
The InChIKey is FZDHECGXIDRLTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O4/c1-13-7-9-15(10-8-13)26-19(23)12-18-21-16-6-4-3-5-14(16)11-17(21)20(24)22(18)25-2/h3-11,18H,12H2,1-2H3.
What are the key properties of (4-methylphenyl) 2-(2-methoxy-3-oxo-1H-imidazo[1,5-a]indol-1-yl)acetate?
(4-methylphenyl) 2-(2-methoxy-3-oxo-1H-imidazo[1,5-a]indol-1-yl)acetate has a molecular weight of 350.37 g/mol, XLogP of 3.46, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylphenyl) 2-(2-methoxy-3-oxo-1H-imidazo[1,5-a]indol-1-yl)acetate is sourced from PubChem (CID 175180617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).