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

C22H18N2O2 — CID 71454775

IUPACethyl 4-(3-phenylimidazo[1,2-a]pyridin-2-yl)benzoate
SMILESCCOC(=O)c1ccc(-c2nc3ccccn3c2-c2ccccc2)cc1
InChIInChI=1S/C22H18N2O2/c1-2-26-22(25)18-13-11-16(12-14-18)20-21(17-8-4-3-5-9-17)24-15-7-6-10-19(24)23-20/h3-15H,2H2,1H3
InChIKeyPICSNMHMBGDWEX-UHFFFAOYSA-N
MW342.40 g/mol
LogP4.84
Rot. Bonds4

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

ethyl 4-(3-phenylimidazo[1,2-a]pyridin-2-yl)benzoate (PubChem CID 71454775) has the molecular formula C22H18N2O2 and a molecular weight of 342.40 g/mol. Its IUPAC name is ethyl 4-(3-phenylimidazo[1,2-a]pyridin-2-yl)benzoate.

Molecular Properties

Compound Nameethyl 4-(3-phenylimidazo[1,2-a]pyridin-2-yl)benzoate
PubChem CID71454775
Molecular FormulaC22H18N2O2
Molecular Weight342.40 g/mol
Exact Mass342.14
IUPAC Nameethyl 4-(3-phenylimidazo[1,2-a]pyridin-2-yl)benzoate
SMILESCCOC(=O)c1ccc(-c2nc3ccccn3c2-c2ccccc2)cc1
InChIInChI=1S/C22H18N2O2/c1-2-26-22(25)18-13-11-16(12-14-18)20-21(17-8-4-3-5-9-17)24-15-7-6-10-19(24)23-20/h3-15H,2H2,1H3
InChIKeyPICSNMHMBGDWEX-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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Related Compounds

Miroprofen
CID 68752
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Zolpidem carboxylic acid
CID 11966044
Ethyl 2-(4-methylphenyl)-alpha-oxoimidazo(1,2-a)pyridine-3-acetate
CID 4962038
4-[[2-butyl-5-[(E)-2-carboxy-3-phenylprop-1-enyl]imidazol-1-yl]methyl]benzoic acid
CID 14952959
Ethyl 4-[3-[2-oxo-2-[(5-phenyl-2-pyridinyl)amino]ethyl]-5-pyridin-4-yltriazol-4-yl]benzoate
CID 134131920
1-[4-[3-(4-Propan-2-yloxyphenyl)imidazo[1,2-a]pyridin-6-yl]phenyl]ethanone
CID 134179255
1-[4-[6-(4-Propan-2-yloxyphenyl)imidazo[1,2-a]pyridin-3-yl]phenyl]ethanone
CID 134179274
Propan-2-yl 4-[3-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridin-6-yl]benzoate
CID 134179845
Methyl 4-(7-fluoro-6-pyridin-4-ylbenzimidazol-1-yl)benzoate
CID 146316027
Ethyl 2-phenylimidazo[1,2-a]pyridine-3-carboxylate
CID 1473601
Ethyl 6-methyl-2-phenylimidazo[1,2-a]pyridine-3-carboxylate
CID 1473602

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(3-phenylimidazo[1,2-a]pyridin-2-yl)benzoate?
The IUPAC name of ethyl 4-(3-phenylimidazo[1,2-a]pyridin-2-yl)benzoate (CID 71454775) is ethyl 4-(3-phenylimidazo[1,2-a]pyridin-2-yl)benzoate.
What is the SMILES notation for ethyl 4-(3-phenylimidazo[1,2-a]pyridin-2-yl)benzoate?
The canonical SMILES for ethyl 4-(3-phenylimidazo[1,2-a]pyridin-2-yl)benzoate is CCOC(=O)c1ccc(-c2nc3ccccn3c2-c2ccccc2)cc1.
What is the InChIKey of ethyl 4-(3-phenylimidazo[1,2-a]pyridin-2-yl)benzoate?
The InChIKey is PICSNMHMBGDWEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O2/c1-2-26-22(25)18-13-11-16(12-14-18)20-21(17-8-4-3-5-9-17)24-15-7-6-10-19(24)23-20/h3-15H,2H2,1H3.
What are the key properties of ethyl 4-(3-phenylimidazo[1,2-a]pyridin-2-yl)benzoate?
ethyl 4-(3-phenylimidazo[1,2-a]pyridin-2-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-(3-phenylimidazo[1,2-a]pyridin-2-yl)benzoate is sourced from PubChem (CID 71454775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).