methyl 2-(4-methylphenyl)-3-(thiophen-3-ylmethyl)imidazo[1,2-a]pyridine-6-carboxylate

C21H18N2O2S — CID 51359846

IUPACmethyl 2-(4-methylphenyl)-3-(thiophen-3-ylmethyl)imidazo[1,2-a]pyridine-6-carboxylate
SMILESCOC(=O)c1ccc2nc(-c3ccc(C)cc3)c(Cc3ccsc3)n2c1
InChIInChI=1S/C21H18N2O2S/c1-14-3-5-16(6-4-14)20-18(11-15-9-10-26-13-15)23-12-17(21(24)25-2)7-8-19(23)22-20/h3-10,12-13H,11H2,1-2H3
InChIKeyVMEYUUAUEWKXTF-UHFFFAOYSA-N
MW362.45 g/mol
LogP4.75
Rot. Bonds4

About methyl 2-(4-methylphenyl)-3-(thiophen-3-ylmethyl)imidazo[1,2-a]pyridine-6-carboxylate

methyl 2-(4-methylphenyl)-3-(thiophen-3-ylmethyl)imidazo[1,2-a]pyridine-6-carboxylate (PubChem CID 51359846) has the molecular formula C21H18N2O2S and a molecular weight of 362.45 g/mol. Its IUPAC name is methyl 2-(4-methylphenyl)-3-(thiophen-3-ylmethyl)imidazo[1,2-a]pyridine-6-carboxylate.

Molecular Properties

Compound Namemethyl 2-(4-methylphenyl)-3-(thiophen-3-ylmethyl)imidazo[1,2-a]pyridine-6-carboxylate
PubChem CID51359846
Molecular FormulaC21H18N2O2S
Molecular Weight362.45 g/mol
Exact Mass362.11
IUPAC Namemethyl 2-(4-methylphenyl)-3-(thiophen-3-ylmethyl)imidazo[1,2-a]pyridine-6-carboxylate
SMILESCOC(=O)c1ccc2nc(-c3ccc(C)cc3)c(Cc3ccsc3)n2c1
InChIInChI=1S/C21H18N2O2S/c1-14-3-5-16(6-4-14)20-18(11-15-9-10-26-13-15)23-12-17(21(24)25-2)7-8-19(23)22-20/h3-10,12-13H,11H2,1-2H3
InChIKeyVMEYUUAUEWKXTF-UHFFFAOYSA-N
XLogP4.75
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.45
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-methylphenyl)-3-(thiophen-3-ylmethyl)imidazo[1,2-a]pyridine-6-carboxylate?
The IUPAC name of methyl 2-(4-methylphenyl)-3-(thiophen-3-ylmethyl)imidazo[1,2-a]pyridine-6-carboxylate (CID 51359846) is methyl 2-(4-methylphenyl)-3-(thiophen-3-ylmethyl)imidazo[1,2-a]pyridine-6-carboxylate.
What is the SMILES notation for methyl 2-(4-methylphenyl)-3-(thiophen-3-ylmethyl)imidazo[1,2-a]pyridine-6-carboxylate?
The canonical SMILES for methyl 2-(4-methylphenyl)-3-(thiophen-3-ylmethyl)imidazo[1,2-a]pyridine-6-carboxylate is COC(=O)c1ccc2nc(-c3ccc(C)cc3)c(Cc3ccsc3)n2c1.
What is the InChIKey of methyl 2-(4-methylphenyl)-3-(thiophen-3-ylmethyl)imidazo[1,2-a]pyridine-6-carboxylate?
The InChIKey is VMEYUUAUEWKXTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O2S/c1-14-3-5-16(6-4-14)20-18(11-15-9-10-26-13-15)23-12-17(21(24)25-2)7-8-19(23)22-20/h3-10,12-13H,11H2,1-2H3.
What are the key properties of methyl 2-(4-methylphenyl)-3-(thiophen-3-ylmethyl)imidazo[1,2-a]pyridine-6-carboxylate?
methyl 2-(4-methylphenyl)-3-(thiophen-3-ylmethyl)imidazo[1,2-a]pyridine-6-carboxylate has a molecular weight of 362.45 g/mol, XLogP of 4.75, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-methylphenyl)-3-(thiophen-3-ylmethyl)imidazo[1,2-a]pyridine-6-carboxylate is sourced from PubChem (CID 51359846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).