6-chloro-2-phenyl-3-(thiophen-3-ylmethyl)imidazo[1,2-a]pyridine

C18H13ClN2S — CID 51361253

IUPAC6-chloro-2-phenyl-3-(thiophen-3-ylmethyl)imidazo[1,2-a]pyridine
SMILESClc1ccc2nc(-c3ccccc3)c(Cc3ccsc3)n2c1
InChIInChI=1S/C18H13ClN2S/c19-15-6-7-17-20-18(14-4-2-1-3-5-14)16(21(17)11-15)10-13-8-9-22-12-13/h1-9,11-12H,10H2
InChIKeyDBSIZPWYCRJENJ-UHFFFAOYSA-N
MW324.84 g/mol
LogP5.31
Rot. Bonds3

About 6-chloro-2-phenyl-3-(thiophen-3-ylmethyl)imidazo[1,2-a]pyridine

6-chloro-2-phenyl-3-(thiophen-3-ylmethyl)imidazo[1,2-a]pyridine (PubChem CID 51361253) has the molecular formula C18H13ClN2S and a molecular weight of 324.84 g/mol. Its IUPAC name is 6-chloro-2-phenyl-3-(thiophen-3-ylmethyl)imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name6-chloro-2-phenyl-3-(thiophen-3-ylmethyl)imidazo[1,2-a]pyridine
PubChem CID51361253
Molecular FormulaC18H13ClN2S
Molecular Weight324.84 g/mol
Exact Mass324.05
IUPAC Name6-chloro-2-phenyl-3-(thiophen-3-ylmethyl)imidazo[1,2-a]pyridine
SMILESClc1ccc2nc(-c3ccccc3)c(Cc3ccsc3)n2c1
InChIInChI=1S/C18H13ClN2S/c19-15-6-7-17-20-18(14-4-2-1-3-5-14)16(21(17)11-15)10-13-8-9-22-12-13/h1-9,11-12H,10H2
InChIKeyDBSIZPWYCRJENJ-UHFFFAOYSA-N
XLogP5.31
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.84
LogP ≤ 55.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-phenyl-3-(thiophen-3-ylmethyl)imidazo[1,2-a]pyridine?
The IUPAC name of 6-chloro-2-phenyl-3-(thiophen-3-ylmethyl)imidazo[1,2-a]pyridine (CID 51361253) is 6-chloro-2-phenyl-3-(thiophen-3-ylmethyl)imidazo[1,2-a]pyridine.
What is the SMILES notation for 6-chloro-2-phenyl-3-(thiophen-3-ylmethyl)imidazo[1,2-a]pyridine?
The canonical SMILES for 6-chloro-2-phenyl-3-(thiophen-3-ylmethyl)imidazo[1,2-a]pyridine is Clc1ccc2nc(-c3ccccc3)c(Cc3ccsc3)n2c1.
What is the InChIKey of 6-chloro-2-phenyl-3-(thiophen-3-ylmethyl)imidazo[1,2-a]pyridine?
The InChIKey is DBSIZPWYCRJENJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClN2S/c19-15-6-7-17-20-18(14-4-2-1-3-5-14)16(21(17)11-15)10-13-8-9-22-12-13/h1-9,11-12H,10H2.
What are the key properties of 6-chloro-2-phenyl-3-(thiophen-3-ylmethyl)imidazo[1,2-a]pyridine?
6-chloro-2-phenyl-3-(thiophen-3-ylmethyl)imidazo[1,2-a]pyridine has a molecular weight of 324.84 g/mol, XLogP of 5.31, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-phenyl-3-(thiophen-3-ylmethyl)imidazo[1,2-a]pyridine is sourced from PubChem (CID 51361253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).