[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-8-yl] benzoate

C20H13ClN2O2 — CID 171984006

IUPAC[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-8-yl] benzoate
SMILESO=C(Oc1cccn2cc(-c3ccc(Cl)cc3)nc12)c1ccccc1
InChIInChI=1S/C20H13ClN2O2/c21-16-10-8-14(9-11-16)17-13-23-12-4-7-18(19(23)22-17)25-20(24)15-5-2-1-3-6-15/h1-13H
InChIKeyFDEBXINSFRPAIS-UHFFFAOYSA-N
MW348.79 g/mol
LogP4.87
Rot. Bonds3

About [2-(4-chlorophenyl)imidazo[1,2-a]pyridin-8-yl] benzoate

[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-8-yl] benzoate (PubChem CID 171984006) has the molecular formula C20H13ClN2O2 and a molecular weight of 348.79 g/mol. Its IUPAC name is [2-(4-chlorophenyl)imidazo[1,2-a]pyridin-8-yl] benzoate.

Molecular Properties

Compound Name[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-8-yl] benzoate
PubChem CID171984006
Molecular FormulaC20H13ClN2O2
Molecular Weight348.79 g/mol
Exact Mass348.07
IUPAC Name[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-8-yl] benzoate
SMILESO=C(Oc1cccn2cc(-c3ccc(Cl)cc3)nc12)c1ccccc1
InChIInChI=1S/C20H13ClN2O2/c21-16-10-8-14(9-11-16)17-13-23-12-4-7-18(19(23)22-17)25-20(24)15-5-2-1-3-6-15/h1-13H
InChIKeyFDEBXINSFRPAIS-UHFFFAOYSA-N
XLogP4.87
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.79
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(4-chlorophenyl)imidazo[1,2-a]pyridin-8-yl] benzoate?
The IUPAC name of [2-(4-chlorophenyl)imidazo[1,2-a]pyridin-8-yl] benzoate (CID 171984006) is [2-(4-chlorophenyl)imidazo[1,2-a]pyridin-8-yl] benzoate.
What is the SMILES notation for [2-(4-chlorophenyl)imidazo[1,2-a]pyridin-8-yl] benzoate?
The canonical SMILES for [2-(4-chlorophenyl)imidazo[1,2-a]pyridin-8-yl] benzoate is O=C(Oc1cccn2cc(-c3ccc(Cl)cc3)nc12)c1ccccc1.
What is the InChIKey of [2-(4-chlorophenyl)imidazo[1,2-a]pyridin-8-yl] benzoate?
The InChIKey is FDEBXINSFRPAIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13ClN2O2/c21-16-10-8-14(9-11-16)17-13-23-12-4-7-18(19(23)22-17)25-20(24)15-5-2-1-3-6-15/h1-13H.
What are the key properties of [2-(4-chlorophenyl)imidazo[1,2-a]pyridin-8-yl] benzoate?
[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-8-yl] benzoate has a molecular weight of 348.79 g/mol, XLogP of 4.87, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-chlorophenyl)imidazo[1,2-a]pyridin-8-yl] benzoate is sourced from PubChem (CID 171984006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).