ethyl 4-(2-phenylimidazo[1,2-a]pyridin-3-yl)benzoate

C22H18N2O2 — CID 71451212

IUPACethyl 4-(2-phenylimidazo[1,2-a]pyridin-3-yl)benzoate
SMILESCCOC(=O)c1ccc(-c2c(-c3ccccc3)nc3ccccn23)cc1
InChIInChI=1S/C22H18N2O2/c1-2-26-22(25)18-13-11-17(12-14-18)21-20(16-8-4-3-5-9-16)23-19-10-6-7-15-24(19)21/h3-15H,2H2,1H3
InChIKeyZFUHTPVRZYPXAQ-UHFFFAOYSA-N
MW342.40 g/mol
LogP4.84
Rot. Bonds4

About ethyl 4-(2-phenylimidazo[1,2-a]pyridin-3-yl)benzoate

ethyl 4-(2-phenylimidazo[1,2-a]pyridin-3-yl)benzoate (PubChem CID 71451212) has the molecular formula C22H18N2O2 and a molecular weight of 342.40 g/mol. Its IUPAC name is ethyl 4-(2-phenylimidazo[1,2-a]pyridin-3-yl)benzoate.

Molecular Properties

Compound Nameethyl 4-(2-phenylimidazo[1,2-a]pyridin-3-yl)benzoate
PubChem CID71451212
Molecular FormulaC22H18N2O2
Molecular Weight342.40 g/mol
Exact Mass342.14
IUPAC Nameethyl 4-(2-phenylimidazo[1,2-a]pyridin-3-yl)benzoate
SMILESCCOC(=O)c1ccc(-c2c(-c3ccccc3)nc3ccccn23)cc1
InChIInChI=1S/C22H18N2O2/c1-2-26-22(25)18-13-11-17(12-14-18)21-20(16-8-4-3-5-9-16)23-19-10-6-7-15-24(19)21/h3-15H,2H2,1H3
InChIKeyZFUHTPVRZYPXAQ-UHFFFAOYSA-N
XLogP4.84
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-(2-phenylimidazo[1,2-a]pyridin-3-yl)benzoate?
The IUPAC name of ethyl 4-(2-phenylimidazo[1,2-a]pyridin-3-yl)benzoate (CID 71451212) is ethyl 4-(2-phenylimidazo[1,2-a]pyridin-3-yl)benzoate.
What is the SMILES notation for ethyl 4-(2-phenylimidazo[1,2-a]pyridin-3-yl)benzoate?
The canonical SMILES for ethyl 4-(2-phenylimidazo[1,2-a]pyridin-3-yl)benzoate is CCOC(=O)c1ccc(-c2c(-c3ccccc3)nc3ccccn23)cc1.
What is the InChIKey of ethyl 4-(2-phenylimidazo[1,2-a]pyridin-3-yl)benzoate?
The InChIKey is ZFUHTPVRZYPXAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O2/c1-2-26-22(25)18-13-11-17(12-14-18)21-20(16-8-4-3-5-9-16)23-19-10-6-7-15-24(19)21/h3-15H,2H2,1H3.
What are the key properties of ethyl 4-(2-phenylimidazo[1,2-a]pyridin-3-yl)benzoate?
ethyl 4-(2-phenylimidazo[1,2-a]pyridin-3-yl)benzoate has a molecular weight of 342.40 g/mol, XLogP of 4.84, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(2-phenylimidazo[1,2-a]pyridin-3-yl)benzoate is sourced from PubChem (CID 71451212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).