methyl 3-benzyl-2-(furan-2-yl)imidazo[1,2-a]pyridine-6-carboxylate

C20H16N2O3 — CID 51359032

IUPACmethyl 3-benzyl-2-(furan-2-yl)imidazo[1,2-a]pyridine-6-carboxylate
SMILESCOC(=O)c1ccc2nc(-c3ccco3)c(Cc3ccccc3)n2c1
InChIInChI=1S/C20H16N2O3/c1-24-20(23)15-9-10-18-21-19(17-8-5-11-25-17)16(22(18)13-15)12-14-6-3-2-4-7-14/h2-11,13H,12H2,1H3
InChIKeyZGMICCNAMSFFCO-UHFFFAOYSA-N
MW332.36 g/mol
LogP3.97
Rot. Bonds4

About methyl 3-benzyl-2-(furan-2-yl)imidazo[1,2-a]pyridine-6-carboxylate

methyl 3-benzyl-2-(furan-2-yl)imidazo[1,2-a]pyridine-6-carboxylate (PubChem CID 51359032) has the molecular formula C20H16N2O3 and a molecular weight of 332.36 g/mol. Its IUPAC name is methyl 3-benzyl-2-(furan-2-yl)imidazo[1,2-a]pyridine-6-carboxylate.

Molecular Properties

Compound Namemethyl 3-benzyl-2-(furan-2-yl)imidazo[1,2-a]pyridine-6-carboxylate
PubChem CID51359032
Molecular FormulaC20H16N2O3
Molecular Weight332.36 g/mol
Exact Mass332.12
IUPAC Namemethyl 3-benzyl-2-(furan-2-yl)imidazo[1,2-a]pyridine-6-carboxylate
SMILESCOC(=O)c1ccc2nc(-c3ccco3)c(Cc3ccccc3)n2c1
InChIInChI=1S/C20H16N2O3/c1-24-20(23)15-9-10-18-21-19(17-8-5-11-25-17)16(22(18)13-15)12-14-6-3-2-4-7-14/h2-11,13H,12H2,1H3
InChIKeyZGMICCNAMSFFCO-UHFFFAOYSA-N
XLogP3.97
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 3-benzyl-2-(furan-2-yl)imidazo[1,2-a]pyridine-6-carboxylate?
The IUPAC name of methyl 3-benzyl-2-(furan-2-yl)imidazo[1,2-a]pyridine-6-carboxylate (CID 51359032) is methyl 3-benzyl-2-(furan-2-yl)imidazo[1,2-a]pyridine-6-carboxylate.
What is the SMILES notation for methyl 3-benzyl-2-(furan-2-yl)imidazo[1,2-a]pyridine-6-carboxylate?
The canonical SMILES for methyl 3-benzyl-2-(furan-2-yl)imidazo[1,2-a]pyridine-6-carboxylate is COC(=O)c1ccc2nc(-c3ccco3)c(Cc3ccccc3)n2c1.
What is the InChIKey of methyl 3-benzyl-2-(furan-2-yl)imidazo[1,2-a]pyridine-6-carboxylate?
The InChIKey is ZGMICCNAMSFFCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O3/c1-24-20(23)15-9-10-18-21-19(17-8-5-11-25-17)16(22(18)13-15)12-14-6-3-2-4-7-14/h2-11,13H,12H2,1H3.
What are the key properties of methyl 3-benzyl-2-(furan-2-yl)imidazo[1,2-a]pyridine-6-carboxylate?
methyl 3-benzyl-2-(furan-2-yl)imidazo[1,2-a]pyridine-6-carboxylate has a molecular weight of 332.36 g/mol, XLogP of 3.97, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-benzyl-2-(furan-2-yl)imidazo[1,2-a]pyridine-6-carboxylate is sourced from PubChem (CID 51359032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).