ethyl 2-[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]acetate

C17H14Cl2N2O2 — CID 10783975

IUPACethyl 2-[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]acetate
SMILESCCOC(=O)Cc1c(-c2ccc(Cl)cc2)nc2ccc(Cl)cn12
InChIInChI=1S/C17H14Cl2N2O2/c1-2-23-16(22)9-14-17(11-3-5-12(18)6-4-11)20-15-8-7-13(19)10-21(14)15/h3-8,10H,2,9H2,1H3
InChIKeyWTFHKZSNXZRVNV-UHFFFAOYSA-N
MW349.22 g/mol
LogP4.41
Rot. Bonds4

About ethyl 2-[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]acetate

ethyl 2-[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]acetate (PubChem CID 10783975) has the molecular formula C17H14Cl2N2O2 and a molecular weight of 349.22 g/mol. Its IUPAC name is ethyl 2-[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]acetate
PubChem CID10783975
Molecular FormulaC17H14Cl2N2O2
Molecular Weight349.22 g/mol
Exact Mass348.04
IUPAC Nameethyl 2-[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]acetate
SMILESCCOC(=O)Cc1c(-c2ccc(Cl)cc2)nc2ccc(Cl)cn12
InChIInChI=1S/C17H14Cl2N2O2/c1-2-23-16(22)9-14-17(11-3-5-12(18)6-4-11)20-15-8-7-13(19)10-21(14)15/h3-8,10H,2,9H2,1H3
InChIKeyWTFHKZSNXZRVNV-UHFFFAOYSA-N
XLogP4.41
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.22
LogP ≤ 54.41
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-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]acetate?
The IUPAC name of ethyl 2-[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]acetate (CID 10783975) is ethyl 2-[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]acetate.
What is the SMILES notation for ethyl 2-[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]acetate?
The canonical SMILES for ethyl 2-[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]acetate is CCOC(=O)Cc1c(-c2ccc(Cl)cc2)nc2ccc(Cl)cn12.
What is the InChIKey of ethyl 2-[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]acetate?
The InChIKey is WTFHKZSNXZRVNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14Cl2N2O2/c1-2-23-16(22)9-14-17(11-3-5-12(18)6-4-11)20-15-8-7-13(19)10-21(14)15/h3-8,10H,2,9H2,1H3.
What are the key properties of ethyl 2-[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]acetate?
ethyl 2-[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]acetate has a molecular weight of 349.22 g/mol, XLogP of 4.41, 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-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]acetate is sourced from PubChem (CID 10783975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).