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

C17H20N2S — CID 51360017

IUPAC2-tert-butyl-6-methyl-3-(thiophen-3-ylmethyl)imidazo[1,2-a]pyridine
SMILESCc1ccc2nc(C(C)(C)C)c(Cc3ccsc3)n2c1
InChIInChI=1S/C17H20N2S/c1-12-5-6-15-18-16(17(2,3)4)14(19(15)10-12)9-13-7-8-20-11-13/h5-8,10-11H,9H2,1-4H3
InChIKeyKECSVAGADREPMH-UHFFFAOYSA-N
MW284.43 g/mol
LogP4.59
Rot. Bonds2

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

2-tert-butyl-6-methyl-3-(thiophen-3-ylmethyl)imidazo[1,2-a]pyridine (PubChem CID 51360017) has the molecular formula C17H20N2S and a molecular weight of 284.43 g/mol. Its IUPAC name is 2-tert-butyl-6-methyl-3-(thiophen-3-ylmethyl)imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name2-tert-butyl-6-methyl-3-(thiophen-3-ylmethyl)imidazo[1,2-a]pyridine
PubChem CID51360017
Molecular FormulaC17H20N2S
Molecular Weight284.43 g/mol
Exact Mass284.13
IUPAC Name2-tert-butyl-6-methyl-3-(thiophen-3-ylmethyl)imidazo[1,2-a]pyridine
SMILESCc1ccc2nc(C(C)(C)C)c(Cc3ccsc3)n2c1
InChIInChI=1S/C17H20N2S/c1-12-5-6-15-18-16(17(2,3)4)14(19(15)10-12)9-13-7-8-20-11-13/h5-8,10-11H,9H2,1-4H3
InChIKeyKECSVAGADREPMH-UHFFFAOYSA-N
XLogP4.59
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.43
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-6-methyl-3-(thiophen-3-ylmethyl)imidazo[1,2-a]pyridine?
The IUPAC name of 2-tert-butyl-6-methyl-3-(thiophen-3-ylmethyl)imidazo[1,2-a]pyridine (CID 51360017) is 2-tert-butyl-6-methyl-3-(thiophen-3-ylmethyl)imidazo[1,2-a]pyridine.
What is the SMILES notation for 2-tert-butyl-6-methyl-3-(thiophen-3-ylmethyl)imidazo[1,2-a]pyridine?
The canonical SMILES for 2-tert-butyl-6-methyl-3-(thiophen-3-ylmethyl)imidazo[1,2-a]pyridine is Cc1ccc2nc(C(C)(C)C)c(Cc3ccsc3)n2c1.
What is the InChIKey of 2-tert-butyl-6-methyl-3-(thiophen-3-ylmethyl)imidazo[1,2-a]pyridine?
The InChIKey is KECSVAGADREPMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2S/c1-12-5-6-15-18-16(17(2,3)4)14(19(15)10-12)9-13-7-8-20-11-13/h5-8,10-11H,9H2,1-4H3.
What are the key properties of 2-tert-butyl-6-methyl-3-(thiophen-3-ylmethyl)imidazo[1,2-a]pyridine?
2-tert-butyl-6-methyl-3-(thiophen-3-ylmethyl)imidazo[1,2-a]pyridine has a molecular weight of 284.43 g/mol, XLogP of 4.59, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-6-methyl-3-(thiophen-3-ylmethyl)imidazo[1,2-a]pyridine is sourced from PubChem (CID 51360017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).