(2-ethylphenyl)methyl 2,7-dimethylimidazo[1,2-a]pyridine-3-carboxylate

C19H20N2O2 — CID 71456440

IUPAC(2-ethylphenyl)methyl 2,7-dimethylimidazo[1,2-a]pyridine-3-carboxylate
SMILESCCc1ccccc1COC(=O)c1c(C)nc2cc(C)ccn12
InChIInChI=1S/C19H20N2O2/c1-4-15-7-5-6-8-16(15)12-23-19(22)18-14(3)20-17-11-13(2)9-10-21(17)18/h5-11H,4,12H2,1-3H3
InChIKeyWQIFCEBSVUDAAW-UHFFFAOYSA-N
MW308.38 g/mol
LogP3.87
Rot. Bonds4

About (2-ethylphenyl)methyl 2,7-dimethylimidazo[1,2-a]pyridine-3-carboxylate

(2-ethylphenyl)methyl 2,7-dimethylimidazo[1,2-a]pyridine-3-carboxylate (PubChem CID 71456440) has the molecular formula C19H20N2O2 and a molecular weight of 308.38 g/mol. Its IUPAC name is (2-ethylphenyl)methyl 2,7-dimethylimidazo[1,2-a]pyridine-3-carboxylate.

Molecular Properties

Compound Name(2-ethylphenyl)methyl 2,7-dimethylimidazo[1,2-a]pyridine-3-carboxylate
PubChem CID71456440
Molecular FormulaC19H20N2O2
Molecular Weight308.38 g/mol
Exact Mass308.15
IUPAC Name(2-ethylphenyl)methyl 2,7-dimethylimidazo[1,2-a]pyridine-3-carboxylate
SMILESCCc1ccccc1COC(=O)c1c(C)nc2cc(C)ccn12
InChIInChI=1S/C19H20N2O2/c1-4-15-7-5-6-8-16(15)12-23-19(22)18-14(3)20-17-11-13(2)9-10-21(17)18/h5-11H,4,12H2,1-3H3
InChIKeyWQIFCEBSVUDAAW-UHFFFAOYSA-N
XLogP3.87
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-ethylphenyl)methyl 2,7-dimethylimidazo[1,2-a]pyridine-3-carboxylate?
The IUPAC name of (2-ethylphenyl)methyl 2,7-dimethylimidazo[1,2-a]pyridine-3-carboxylate (CID 71456440) is (2-ethylphenyl)methyl 2,7-dimethylimidazo[1,2-a]pyridine-3-carboxylate.
What is the SMILES notation for (2-ethylphenyl)methyl 2,7-dimethylimidazo[1,2-a]pyridine-3-carboxylate?
The canonical SMILES for (2-ethylphenyl)methyl 2,7-dimethylimidazo[1,2-a]pyridine-3-carboxylate is CCc1ccccc1COC(=O)c1c(C)nc2cc(C)ccn12.
What is the InChIKey of (2-ethylphenyl)methyl 2,7-dimethylimidazo[1,2-a]pyridine-3-carboxylate?
The InChIKey is WQIFCEBSVUDAAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2/c1-4-15-7-5-6-8-16(15)12-23-19(22)18-14(3)20-17-11-13(2)9-10-21(17)18/h5-11H,4,12H2,1-3H3.
What are the key properties of (2-ethylphenyl)methyl 2,7-dimethylimidazo[1,2-a]pyridine-3-carboxylate?
(2-ethylphenyl)methyl 2,7-dimethylimidazo[1,2-a]pyridine-3-carboxylate has a molecular weight of 308.38 g/mol, XLogP of 3.87, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethylphenyl)methyl 2,7-dimethylimidazo[1,2-a]pyridine-3-carboxylate is sourced from PubChem (CID 71456440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).