(8-methylimidazo[1,2-a]pyridin-2-yl)methyl 2-(4-tert-butylphenoxy)acetate

C21H24N2O3 — CID 55475885

IUPAC(8-methylimidazo[1,2-a]pyridin-2-yl)methyl 2-(4-tert-butylphenoxy)acetate
SMILESCc1cccn2cc(COC(=O)COc3ccc(C(C)(C)C)cc3)nc12
InChIInChI=1S/C21H24N2O3/c1-15-6-5-11-23-12-17(22-20(15)23)13-26-19(24)14-25-18-9-7-16(8-10-18)21(2,3)4/h5-12H,13-14H2,1-4H3
InChIKeyCRKFNALAWDRUGG-UHFFFAOYSA-N
MW352.43 g/mol
LogP4.06
Rot. Bonds5

About (8-methylimidazo[1,2-a]pyridin-2-yl)methyl 2-(4-tert-butylphenoxy)acetate

(8-methylimidazo[1,2-a]pyridin-2-yl)methyl 2-(4-tert-butylphenoxy)acetate (PubChem CID 55475885) has the molecular formula C21H24N2O3 and a molecular weight of 352.43 g/mol. Its IUPAC name is (8-methylimidazo[1,2-a]pyridin-2-yl)methyl 2-(4-tert-butylphenoxy)acetate.

Molecular Properties

Compound Name(8-methylimidazo[1,2-a]pyridin-2-yl)methyl 2-(4-tert-butylphenoxy)acetate
PubChem CID55475885
Molecular FormulaC21H24N2O3
Molecular Weight352.43 g/mol
Exact Mass352.18
IUPAC Name(8-methylimidazo[1,2-a]pyridin-2-yl)methyl 2-(4-tert-butylphenoxy)acetate
SMILESCc1cccn2cc(COC(=O)COc3ccc(C(C)(C)C)cc3)nc12
InChIInChI=1S/C21H24N2O3/c1-15-6-5-11-23-12-17(22-20(15)23)13-26-19(24)14-25-18-9-7-16(8-10-18)21(2,3)4/h5-12H,13-14H2,1-4H3
InChIKeyCRKFNALAWDRUGG-UHFFFAOYSA-N
XLogP4.06
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (8-methylimidazo[1,2-a]pyridin-2-yl)methyl 2-(4-tert-butylphenoxy)acetate?
The IUPAC name of (8-methylimidazo[1,2-a]pyridin-2-yl)methyl 2-(4-tert-butylphenoxy)acetate (CID 55475885) is (8-methylimidazo[1,2-a]pyridin-2-yl)methyl 2-(4-tert-butylphenoxy)acetate.
What is the SMILES notation for (8-methylimidazo[1,2-a]pyridin-2-yl)methyl 2-(4-tert-butylphenoxy)acetate?
The canonical SMILES for (8-methylimidazo[1,2-a]pyridin-2-yl)methyl 2-(4-tert-butylphenoxy)acetate is Cc1cccn2cc(COC(=O)COc3ccc(C(C)(C)C)cc3)nc12.
What is the InChIKey of (8-methylimidazo[1,2-a]pyridin-2-yl)methyl 2-(4-tert-butylphenoxy)acetate?
The InChIKey is CRKFNALAWDRUGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O3/c1-15-6-5-11-23-12-17(22-20(15)23)13-26-19(24)14-25-18-9-7-16(8-10-18)21(2,3)4/h5-12H,13-14H2,1-4H3.
What are the key properties of (8-methylimidazo[1,2-a]pyridin-2-yl)methyl 2-(4-tert-butylphenoxy)acetate?
(8-methylimidazo[1,2-a]pyridin-2-yl)methyl 2-(4-tert-butylphenoxy)acetate has a molecular weight of 352.43 g/mol, XLogP of 4.06, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (8-methylimidazo[1,2-a]pyridin-2-yl)methyl 2-(4-tert-butylphenoxy)acetate is sourced from PubChem (CID 55475885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).