(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl 2-(3,5-dimethylphenoxy)acetate

C18H17ClN2O3 — CID 8911730

IUPAC(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl 2-(3,5-dimethylphenoxy)acetate
SMILESCc1cc(C)cc(OCC(=O)OCc2cn3cc(Cl)ccc3n2)c1
InChIInChI=1S/C18H17ClN2O3/c1-12-5-13(2)7-16(6-12)23-11-18(22)24-10-15-9-21-8-14(19)3-4-17(21)20-15/h3-9H,10-11H2,1-2H3
InChIKeyNIKHAAGVWOJCJW-UHFFFAOYSA-N
MW344.80 g/mol
LogP3.73
Rot. Bonds5

About (6-chloroimidazo[1,2-a]pyridin-2-yl)methyl 2-(3,5-dimethylphenoxy)acetate

(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl 2-(3,5-dimethylphenoxy)acetate (PubChem CID 8911730) has the molecular formula C18H17ClN2O3 and a molecular weight of 344.80 g/mol. Its IUPAC name is (6-chloroimidazo[1,2-a]pyridin-2-yl)methyl 2-(3,5-dimethylphenoxy)acetate.

Molecular Properties

Compound Name(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl 2-(3,5-dimethylphenoxy)acetate
PubChem CID8911730
Molecular FormulaC18H17ClN2O3
Molecular Weight344.80 g/mol
Exact Mass344.09
IUPAC Name(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl 2-(3,5-dimethylphenoxy)acetate
SMILESCc1cc(C)cc(OCC(=O)OCc2cn3cc(Cl)ccc3n2)c1
InChIInChI=1S/C18H17ClN2O3/c1-12-5-13(2)7-16(6-12)23-11-18(22)24-10-15-9-21-8-14(19)3-4-17(21)20-15/h3-9H,10-11H2,1-2H3
InChIKeyNIKHAAGVWOJCJW-UHFFFAOYSA-N
XLogP3.73
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.80
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (6-chloroimidazo[1,2-a]pyridin-2-yl)methyl 2-(3,5-dimethylphenoxy)acetate?
The IUPAC name of (6-chloroimidazo[1,2-a]pyridin-2-yl)methyl 2-(3,5-dimethylphenoxy)acetate (CID 8911730) is (6-chloroimidazo[1,2-a]pyridin-2-yl)methyl 2-(3,5-dimethylphenoxy)acetate.
What is the SMILES notation for (6-chloroimidazo[1,2-a]pyridin-2-yl)methyl 2-(3,5-dimethylphenoxy)acetate?
The canonical SMILES for (6-chloroimidazo[1,2-a]pyridin-2-yl)methyl 2-(3,5-dimethylphenoxy)acetate is Cc1cc(C)cc(OCC(=O)OCc2cn3cc(Cl)ccc3n2)c1.
What is the InChIKey of (6-chloroimidazo[1,2-a]pyridin-2-yl)methyl 2-(3,5-dimethylphenoxy)acetate?
The InChIKey is NIKHAAGVWOJCJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN2O3/c1-12-5-13(2)7-16(6-12)23-11-18(22)24-10-15-9-21-8-14(19)3-4-17(21)20-15/h3-9H,10-11H2,1-2H3.
What are the key properties of (6-chloroimidazo[1,2-a]pyridin-2-yl)methyl 2-(3,5-dimethylphenoxy)acetate?
(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl 2-(3,5-dimethylphenoxy)acetate has a molecular weight of 344.80 g/mol, XLogP of 3.73, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6-chloroimidazo[1,2-a]pyridin-2-yl)methyl 2-(3,5-dimethylphenoxy)acetate is sourced from PubChem (CID 8911730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).