2-(imidazo[1,2-a]pyridin-2-ylmethylidene)-3H-inden-1-one

C17H12N2O — CID 71888171

IUPAC2-(imidazo[1,2-a]pyridin-2-ylmethylidene)-3H-inden-1-one
SMILESO=C1C(=Cc2cn3ccccc3n2)Cc2ccccc21
InChIInChI=1S/C17H12N2O/c20-17-13(9-12-5-1-2-6-15(12)17)10-14-11-19-8-4-3-7-16(19)18-14/h1-8,10-11H,9H2
InChIKeyLFCYNEFJSQDUAJ-UHFFFAOYSA-N
MW260.30 g/mol
LogP3.16
Rot. Bonds1

About 2-(imidazo[1,2-a]pyridin-2-ylmethylidene)-3H-inden-1-one

2-(imidazo[1,2-a]pyridin-2-ylmethylidene)-3H-inden-1-one (PubChem CID 71888171) has the molecular formula C17H12N2O and a molecular weight of 260.30 g/mol. Its IUPAC name is 2-(imidazo[1,2-a]pyridin-2-ylmethylidene)-3H-inden-1-one.

Molecular Properties

Compound Name2-(imidazo[1,2-a]pyridin-2-ylmethylidene)-3H-inden-1-one
PubChem CID71888171
Molecular FormulaC17H12N2O
Molecular Weight260.30 g/mol
Exact Mass260.09
IUPAC Name2-(imidazo[1,2-a]pyridin-2-ylmethylidene)-3H-inden-1-one
SMILESO=C1C(=Cc2cn3ccccc3n2)Cc2ccccc21
InChIInChI=1S/C17H12N2O/c20-17-13(9-12-5-1-2-6-15(12)17)10-14-11-19-8-4-3-7-16(19)18-14/h1-8,10-11H,9H2
InChIKeyLFCYNEFJSQDUAJ-UHFFFAOYSA-N
XLogP3.16
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(imidazo[1,2-a]pyridin-2-ylmethylidene)-3H-inden-1-one?
The IUPAC name of 2-(imidazo[1,2-a]pyridin-2-ylmethylidene)-3H-inden-1-one (CID 71888171) is 2-(imidazo[1,2-a]pyridin-2-ylmethylidene)-3H-inden-1-one.
What is the SMILES notation for 2-(imidazo[1,2-a]pyridin-2-ylmethylidene)-3H-inden-1-one?
The canonical SMILES for 2-(imidazo[1,2-a]pyridin-2-ylmethylidene)-3H-inden-1-one is O=C1C(=Cc2cn3ccccc3n2)Cc2ccccc21.
What is the InChIKey of 2-(imidazo[1,2-a]pyridin-2-ylmethylidene)-3H-inden-1-one?
The InChIKey is LFCYNEFJSQDUAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N2O/c20-17-13(9-12-5-1-2-6-15(12)17)10-14-11-19-8-4-3-7-16(19)18-14/h1-8,10-11H,9H2.
What are the key properties of 2-(imidazo[1,2-a]pyridin-2-ylmethylidene)-3H-inden-1-one?
2-(imidazo[1,2-a]pyridin-2-ylmethylidene)-3H-inden-1-one has a molecular weight of 260.30 g/mol, XLogP of 3.16, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(imidazo[1,2-a]pyridin-2-ylmethylidene)-3H-inden-1-one is sourced from PubChem (CID 71888171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).