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

C21H20N2O2S — CID 51360020

IUPAC2-(3,4-dimethoxyphenyl)-6-methyl-3-(thiophen-3-ylmethyl)imidazo[1,2-a]pyridine
SMILESCOc1ccc(-c2nc3ccc(C)cn3c2Cc2ccsc2)cc1OC
InChIInChI=1S/C21H20N2O2S/c1-14-4-7-20-22-21(16-5-6-18(24-2)19(11-16)25-3)17(23(20)12-14)10-15-8-9-26-13-15/h4-9,11-13H,10H2,1-3H3
InChIKeyLBUQPMLSUHGEOU-UHFFFAOYSA-N
MW364.47 g/mol
LogP4.98
Rot. Bonds5

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

2-(3,4-dimethoxyphenyl)-6-methyl-3-(thiophen-3-ylmethyl)imidazo[1,2-a]pyridine (PubChem CID 51360020) has the molecular formula C21H20N2O2S and a molecular weight of 364.47 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-6-methyl-3-(thiophen-3-ylmethyl)imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-6-methyl-3-(thiophen-3-ylmethyl)imidazo[1,2-a]pyridine
PubChem CID51360020
Molecular FormulaC21H20N2O2S
Molecular Weight364.47 g/mol
Exact Mass364.12
IUPAC Name2-(3,4-dimethoxyphenyl)-6-methyl-3-(thiophen-3-ylmethyl)imidazo[1,2-a]pyridine
SMILESCOc1ccc(-c2nc3ccc(C)cn3c2Cc2ccsc2)cc1OC
InChIInChI=1S/C21H20N2O2S/c1-14-4-7-20-22-21(16-5-6-18(24-2)19(11-16)25-3)17(23(20)12-14)10-15-8-9-26-13-15/h4-9,11-13H,10H2,1-3H3
InChIKeyLBUQPMLSUHGEOU-UHFFFAOYSA-N
XLogP4.98
TPSA35.76 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.47
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-6-methyl-3-(thiophen-3-ylmethyl)imidazo[1,2-a]pyridine?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-6-methyl-3-(thiophen-3-ylmethyl)imidazo[1,2-a]pyridine (CID 51360020) is 2-(3,4-dimethoxyphenyl)-6-methyl-3-(thiophen-3-ylmethyl)imidazo[1,2-a]pyridine.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-6-methyl-3-(thiophen-3-ylmethyl)imidazo[1,2-a]pyridine?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-6-methyl-3-(thiophen-3-ylmethyl)imidazo[1,2-a]pyridine is COc1ccc(-c2nc3ccc(C)cn3c2Cc2ccsc2)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-6-methyl-3-(thiophen-3-ylmethyl)imidazo[1,2-a]pyridine?
The InChIKey is LBUQPMLSUHGEOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O2S/c1-14-4-7-20-22-21(16-5-6-18(24-2)19(11-16)25-3)17(23(20)12-14)10-15-8-9-26-13-15/h4-9,11-13H,10H2,1-3H3.
What are the key properties of 2-(3,4-dimethoxyphenyl)-6-methyl-3-(thiophen-3-ylmethyl)imidazo[1,2-a]pyridine?
2-(3,4-dimethoxyphenyl)-6-methyl-3-(thiophen-3-ylmethyl)imidazo[1,2-a]pyridine has a molecular weight of 364.47 g/mol, XLogP of 4.98, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-6-methyl-3-(thiophen-3-ylmethyl)imidazo[1,2-a]pyridine is sourced from PubChem (CID 51360020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).