ethyl 2-(6-chloro-8-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)acetate

C18H17ClN2O2 — CID 165351332

IUPACethyl 2-(6-chloro-8-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)acetate
SMILESCCOC(=O)Cc1c(-c2ccccc2)nc2c(C)cc(Cl)cn12
InChIInChI=1S/C18H17ClN2O2/c1-3-23-16(22)10-15-17(13-7-5-4-6-8-13)20-18-12(2)9-14(19)11-21(15)18/h4-9,11H,3,10H2,1-2H3
InChIKeyOBJARMAFTVSZGJ-UHFFFAOYSA-N
MW328.80 g/mol
LogP4.07
Rot. Bonds4

About ethyl 2-(6-chloro-8-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)acetate

ethyl 2-(6-chloro-8-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)acetate (PubChem CID 165351332) has the molecular formula C18H17ClN2O2 and a molecular weight of 328.80 g/mol. Its IUPAC name is ethyl 2-(6-chloro-8-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(6-chloro-8-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)acetate
PubChem CID165351332
Molecular FormulaC18H17ClN2O2
Molecular Weight328.80 g/mol
Exact Mass328.10
IUPAC Nameethyl 2-(6-chloro-8-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)acetate
SMILESCCOC(=O)Cc1c(-c2ccccc2)nc2c(C)cc(Cl)cn12
InChIInChI=1S/C18H17ClN2O2/c1-3-23-16(22)10-15-17(13-7-5-4-6-8-13)20-18-12(2)9-14(19)11-21(15)18/h4-9,11H,3,10H2,1-2H3
InChIKeyOBJARMAFTVSZGJ-UHFFFAOYSA-N
XLogP4.07
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.80
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(6-chloro-8-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)acetate?
The IUPAC name of ethyl 2-(6-chloro-8-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)acetate (CID 165351332) is ethyl 2-(6-chloro-8-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)acetate.
What is the SMILES notation for ethyl 2-(6-chloro-8-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)acetate?
The canonical SMILES for ethyl 2-(6-chloro-8-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)acetate is CCOC(=O)Cc1c(-c2ccccc2)nc2c(C)cc(Cl)cn12.
What is the InChIKey of ethyl 2-(6-chloro-8-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)acetate?
The InChIKey is OBJARMAFTVSZGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN2O2/c1-3-23-16(22)10-15-17(13-7-5-4-6-8-13)20-18-12(2)9-14(19)11-21(15)18/h4-9,11H,3,10H2,1-2H3.
What are the key properties of ethyl 2-(6-chloro-8-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)acetate?
ethyl 2-(6-chloro-8-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)acetate has a molecular weight of 328.80 g/mol, XLogP of 4.07, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(6-chloro-8-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)acetate is sourced from PubChem (CID 165351332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).