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

C20H18N2S — CID 51359381

IUPAC6-methyl-2-(4-methylphenyl)-3-(thiophen-3-ylmethyl)imidazo[1,2-a]pyridine
SMILESCc1ccc(-c2nc3ccc(C)cn3c2Cc2ccsc2)cc1
InChIInChI=1S/C20H18N2S/c1-14-3-6-17(7-4-14)20-18(11-16-9-10-23-13-16)22-12-15(2)5-8-19(22)21-20/h3-10,12-13H,11H2,1-2H3
InChIKeyBQRGYCXSWJQKKM-UHFFFAOYSA-N
MW318.45 g/mol
LogP5.27
Rot. Bonds3

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

6-methyl-2-(4-methylphenyl)-3-(thiophen-3-ylmethyl)imidazo[1,2-a]pyridine (PubChem CID 51359381) has the molecular formula C20H18N2S and a molecular weight of 318.45 g/mol. Its IUPAC name is 6-methyl-2-(4-methylphenyl)-3-(thiophen-3-ylmethyl)imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name6-methyl-2-(4-methylphenyl)-3-(thiophen-3-ylmethyl)imidazo[1,2-a]pyridine
PubChem CID51359381
Molecular FormulaC20H18N2S
Molecular Weight318.45 g/mol
Exact Mass318.12
IUPAC Name6-methyl-2-(4-methylphenyl)-3-(thiophen-3-ylmethyl)imidazo[1,2-a]pyridine
SMILESCc1ccc(-c2nc3ccc(C)cn3c2Cc2ccsc2)cc1
InChIInChI=1S/C20H18N2S/c1-14-3-6-17(7-4-14)20-18(11-16-9-10-23-13-16)22-12-15(2)5-8-19(22)21-20/h3-10,12-13H,11H2,1-2H3
InChIKeyBQRGYCXSWJQKKM-UHFFFAOYSA-N
XLogP5.27
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.45
LogP ≤ 55.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-(4-methylphenyl)-3-(thiophen-3-ylmethyl)imidazo[1,2-a]pyridine?
The IUPAC name of 6-methyl-2-(4-methylphenyl)-3-(thiophen-3-ylmethyl)imidazo[1,2-a]pyridine (CID 51359381) is 6-methyl-2-(4-methylphenyl)-3-(thiophen-3-ylmethyl)imidazo[1,2-a]pyridine.
What is the SMILES notation for 6-methyl-2-(4-methylphenyl)-3-(thiophen-3-ylmethyl)imidazo[1,2-a]pyridine?
The canonical SMILES for 6-methyl-2-(4-methylphenyl)-3-(thiophen-3-ylmethyl)imidazo[1,2-a]pyridine is Cc1ccc(-c2nc3ccc(C)cn3c2Cc2ccsc2)cc1.
What is the InChIKey of 6-methyl-2-(4-methylphenyl)-3-(thiophen-3-ylmethyl)imidazo[1,2-a]pyridine?
The InChIKey is BQRGYCXSWJQKKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2S/c1-14-3-6-17(7-4-14)20-18(11-16-9-10-23-13-16)22-12-15(2)5-8-19(22)21-20/h3-10,12-13H,11H2,1-2H3.
What are the key properties of 6-methyl-2-(4-methylphenyl)-3-(thiophen-3-ylmethyl)imidazo[1,2-a]pyridine?
6-methyl-2-(4-methylphenyl)-3-(thiophen-3-ylmethyl)imidazo[1,2-a]pyridine has a molecular weight of 318.45 g/mol, XLogP of 5.27, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-(4-methylphenyl)-3-(thiophen-3-ylmethyl)imidazo[1,2-a]pyridine is sourced from PubChem (CID 51359381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).