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

C18H18N2O2 — CID 10589885

IUPACethyl 2-(6-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)acetate
SMILESCCOC(=O)Cc1c(-c2ccccc2)nc2ccc(C)cn12
InChIInChI=1S/C18H18N2O2/c1-3-22-17(21)11-15-18(14-7-5-4-6-8-14)19-16-10-9-13(2)12-20(15)16/h4-10,12H,3,11H2,1-2H3
InChIKeyLIWFGLVFRZNVLR-UHFFFAOYSA-N
MW294.35 g/mol
LogP3.42
Rot. Bonds4

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

ethyl 2-(6-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)acetate (PubChem CID 10589885) has the molecular formula C18H18N2O2 and a molecular weight of 294.35 g/mol. Its IUPAC name is ethyl 2-(6-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(6-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)acetate
PubChem CID10589885
Molecular FormulaC18H18N2O2
Molecular Weight294.35 g/mol
Exact Mass294.14
IUPAC Nameethyl 2-(6-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)acetate
SMILESCCOC(=O)Cc1c(-c2ccccc2)nc2ccc(C)cn12
InChIInChI=1S/C18H18N2O2/c1-3-22-17(21)11-15-18(14-7-5-4-6-8-14)19-16-10-9-13(2)12-20(15)16/h4-10,12H,3,11H2,1-2H3
InChIKeyLIWFGLVFRZNVLR-UHFFFAOYSA-N
XLogP3.42
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(6-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)acetate?
The IUPAC name of ethyl 2-(6-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)acetate (CID 10589885) is ethyl 2-(6-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)acetate.
What is the SMILES notation for ethyl 2-(6-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)acetate?
The canonical SMILES for ethyl 2-(6-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)acetate is CCOC(=O)Cc1c(-c2ccccc2)nc2ccc(C)cn12.
What is the InChIKey of ethyl 2-(6-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)acetate?
The InChIKey is LIWFGLVFRZNVLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2/c1-3-22-17(21)11-15-18(14-7-5-4-6-8-14)19-16-10-9-13(2)12-20(15)16/h4-10,12H,3,11H2,1-2H3.
What are the key properties of ethyl 2-(6-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)acetate?
ethyl 2-(6-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)acetate has a molecular weight of 294.35 g/mol, XLogP of 3.42, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(6-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)acetate is sourced from PubChem (CID 10589885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).