imidazo[1,2-a]pyridin-2-ylmethyl 4-methylbenzoate

C16H14N2O2 — CID 2999528

IUPACimidazo[1,2-a]pyridin-2-ylmethyl 4-methylbenzoate
SMILESCc1ccc(C(=O)OCc2cn3ccccc3n2)cc1
InChIInChI=1S/C16H14N2O2/c1-12-5-7-13(8-6-12)16(19)20-11-14-10-18-9-3-2-4-15(18)17-14/h2-10H,11H2,1H3
InChIKeyCYWUDMHGLMZZSD-UHFFFAOYSA-N
MW266.30 g/mol
LogP3.00
Rot. Bonds3

About imidazo[1,2-a]pyridin-2-ylmethyl 4-methylbenzoate

imidazo[1,2-a]pyridin-2-ylmethyl 4-methylbenzoate (PubChem CID 2999528) has the molecular formula C16H14N2O2 and a molecular weight of 266.30 g/mol. Its IUPAC name is imidazo[1,2-a]pyridin-2-ylmethyl 4-methylbenzoate.

Molecular Properties

Compound Nameimidazo[1,2-a]pyridin-2-ylmethyl 4-methylbenzoate
PubChem CID2999528
Molecular FormulaC16H14N2O2
Molecular Weight266.30 g/mol
Exact Mass266.11
IUPAC Nameimidazo[1,2-a]pyridin-2-ylmethyl 4-methylbenzoate
SMILESCc1ccc(C(=O)OCc2cn3ccccc3n2)cc1
InChIInChI=1S/C16H14N2O2/c1-12-5-7-13(8-6-12)16(19)20-11-14-10-18-9-3-2-4-15(18)17-14/h2-10H,11H2,1H3
InChIKeyCYWUDMHGLMZZSD-UHFFFAOYSA-N
XLogP3.00
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of imidazo[1,2-a]pyridin-2-ylmethyl 4-methylbenzoate?
The IUPAC name of imidazo[1,2-a]pyridin-2-ylmethyl 4-methylbenzoate (CID 2999528) is imidazo[1,2-a]pyridin-2-ylmethyl 4-methylbenzoate.
What is the SMILES notation for imidazo[1,2-a]pyridin-2-ylmethyl 4-methylbenzoate?
The canonical SMILES for imidazo[1,2-a]pyridin-2-ylmethyl 4-methylbenzoate is Cc1ccc(C(=O)OCc2cn3ccccc3n2)cc1.
What is the InChIKey of imidazo[1,2-a]pyridin-2-ylmethyl 4-methylbenzoate?
The InChIKey is CYWUDMHGLMZZSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2/c1-12-5-7-13(8-6-12)16(19)20-11-14-10-18-9-3-2-4-15(18)17-14/h2-10H,11H2,1H3.
What are the key properties of imidazo[1,2-a]pyridin-2-ylmethyl 4-methylbenzoate?
imidazo[1,2-a]pyridin-2-ylmethyl 4-methylbenzoate has a molecular weight of 266.30 g/mol, XLogP of 3.00, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for imidazo[1,2-a]pyridin-2-ylmethyl 4-methylbenzoate is sourced from PubChem (CID 2999528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).