3-benzylsulfanyl-2-tert-butylimidazo[1,2-a]pyridine

C18H20N2S — CID 154707081

IUPAC3-benzylsulfanyl-2-tert-butylimidazo[1,2-a]pyridine
SMILESCC(C)(C)c1nc2ccccn2c1SCc1ccccc1
InChIInChI=1S/C18H20N2S/c1-18(2,3)16-17(20-12-8-7-11-15(20)19-16)21-13-14-9-5-4-6-10-14/h4-12H,13H2,1-3H3
InChIKeyLIDIWLSTMBOUQU-UHFFFAOYSA-N
MW296.44 g/mol
LogP4.92
Rot. Bonds3

About 3-benzylsulfanyl-2-tert-butylimidazo[1,2-a]pyridine

3-benzylsulfanyl-2-tert-butylimidazo[1,2-a]pyridine (PubChem CID 154707081) has the molecular formula C18H20N2S and a molecular weight of 296.44 g/mol. Its IUPAC name is 3-benzylsulfanyl-2-tert-butylimidazo[1,2-a]pyridine.

Molecular Properties

Compound Name3-benzylsulfanyl-2-tert-butylimidazo[1,2-a]pyridine
PubChem CID154707081
Molecular FormulaC18H20N2S
Molecular Weight296.44 g/mol
Exact Mass296.13
IUPAC Name3-benzylsulfanyl-2-tert-butylimidazo[1,2-a]pyridine
SMILESCC(C)(C)c1nc2ccccn2c1SCc1ccccc1
InChIInChI=1S/C18H20N2S/c1-18(2,3)16-17(20-12-8-7-11-15(20)19-16)21-13-14-9-5-4-6-10-14/h4-12H,13H2,1-3H3
InChIKeyLIDIWLSTMBOUQU-UHFFFAOYSA-N
XLogP4.92
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-benzylsulfanyl-2-tert-butylimidazo[1,2-a]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-benzylsulfanyl-2-tert-butylimidazo[1,2-a]pyridine?
The IUPAC name of 3-benzylsulfanyl-2-tert-butylimidazo[1,2-a]pyridine (CID 154707081) is 3-benzylsulfanyl-2-tert-butylimidazo[1,2-a]pyridine.
What is the SMILES notation for 3-benzylsulfanyl-2-tert-butylimidazo[1,2-a]pyridine?
The canonical SMILES for 3-benzylsulfanyl-2-tert-butylimidazo[1,2-a]pyridine is CC(C)(C)c1nc2ccccn2c1SCc1ccccc1.
What is the InChIKey of 3-benzylsulfanyl-2-tert-butylimidazo[1,2-a]pyridine?
The InChIKey is LIDIWLSTMBOUQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2S/c1-18(2,3)16-17(20-12-8-7-11-15(20)19-16)21-13-14-9-5-4-6-10-14/h4-12H,13H2,1-3H3.
What are the key properties of 3-benzylsulfanyl-2-tert-butylimidazo[1,2-a]pyridine?
3-benzylsulfanyl-2-tert-butylimidazo[1,2-a]pyridine has a molecular weight of 296.44 g/mol, XLogP of 4.92, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzylsulfanyl-2-tert-butylimidazo[1,2-a]pyridine is sourced from PubChem (CID 154707081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).