benzyl 2,7-dimethylimidazo[1,2-a]pyridine-3-carboxylate

C17H16N2O2 — CID 57384112

IUPACbenzyl 2,7-dimethylimidazo[1,2-a]pyridine-3-carboxylate
SMILESCc1ccn2c(C(=O)OCc3ccccc3)c(C)nc2c1
InChIInChI=1S/C17H16N2O2/c1-12-8-9-19-15(10-12)18-13(2)16(19)17(20)21-11-14-6-4-3-5-7-14/h3-10H,11H2,1-2H3
InChIKeyJHUOKJQWRSBJHC-UHFFFAOYSA-N
MW280.33 g/mol
LogP3.31
Rot. Bonds3

About benzyl 2,7-dimethylimidazo[1,2-a]pyridine-3-carboxylate

benzyl 2,7-dimethylimidazo[1,2-a]pyridine-3-carboxylate (PubChem CID 57384112) has the molecular formula C17H16N2O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is benzyl 2,7-dimethylimidazo[1,2-a]pyridine-3-carboxylate.

Molecular Properties

Compound Namebenzyl 2,7-dimethylimidazo[1,2-a]pyridine-3-carboxylate
PubChem CID57384112
Molecular FormulaC17H16N2O2
Molecular Weight280.33 g/mol
Exact Mass280.12
IUPAC Namebenzyl 2,7-dimethylimidazo[1,2-a]pyridine-3-carboxylate
SMILESCc1ccn2c(C(=O)OCc3ccccc3)c(C)nc2c1
InChIInChI=1S/C17H16N2O2/c1-12-8-9-19-15(10-12)18-13(2)16(19)17(20)21-11-14-6-4-3-5-7-14/h3-10H,11H2,1-2H3
InChIKeyJHUOKJQWRSBJHC-UHFFFAOYSA-N
XLogP3.31
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of benzyl 2,7-dimethylimidazo[1,2-a]pyridine-3-carboxylate?
The IUPAC name of benzyl 2,7-dimethylimidazo[1,2-a]pyridine-3-carboxylate (CID 57384112) is benzyl 2,7-dimethylimidazo[1,2-a]pyridine-3-carboxylate.
What is the SMILES notation for benzyl 2,7-dimethylimidazo[1,2-a]pyridine-3-carboxylate?
The canonical SMILES for benzyl 2,7-dimethylimidazo[1,2-a]pyridine-3-carboxylate is Cc1ccn2c(C(=O)OCc3ccccc3)c(C)nc2c1.
What is the InChIKey of benzyl 2,7-dimethylimidazo[1,2-a]pyridine-3-carboxylate?
The InChIKey is JHUOKJQWRSBJHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2/c1-12-8-9-19-15(10-12)18-13(2)16(19)17(20)21-11-14-6-4-3-5-7-14/h3-10H,11H2,1-2H3.
What are the key properties of benzyl 2,7-dimethylimidazo[1,2-a]pyridine-3-carboxylate?
benzyl 2,7-dimethylimidazo[1,2-a]pyridine-3-carboxylate has a molecular weight of 280.33 g/mol, XLogP of 3.31, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2,7-dimethylimidazo[1,2-a]pyridine-3-carboxylate is sourced from PubChem (CID 57384112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).