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

C19H15ClN2S — CID 51361254

IUPAC6-chloro-2-(4-methylphenyl)-3-(thiophen-3-ylmethyl)imidazo[1,2-a]pyridine
SMILESCc1ccc(-c2nc3ccc(Cl)cn3c2Cc2ccsc2)cc1
InChIInChI=1S/C19H15ClN2S/c1-13-2-4-15(5-3-13)19-17(10-14-8-9-23-12-14)22-11-16(20)6-7-18(22)21-19/h2-9,11-12H,10H2,1H3
InChIKeyIHLYXHVEFQZMBE-UHFFFAOYSA-N
MW338.86 g/mol
LogP5.62
Rot. Bonds3

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

6-chloro-2-(4-methylphenyl)-3-(thiophen-3-ylmethyl)imidazo[1,2-a]pyridine (PubChem CID 51361254) has the molecular formula C19H15ClN2S and a molecular weight of 338.86 g/mol. Its IUPAC name is 6-chloro-2-(4-methylphenyl)-3-(thiophen-3-ylmethyl)imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name6-chloro-2-(4-methylphenyl)-3-(thiophen-3-ylmethyl)imidazo[1,2-a]pyridine
PubChem CID51361254
Molecular FormulaC19H15ClN2S
Molecular Weight338.86 g/mol
Exact Mass338.06
IUPAC Name6-chloro-2-(4-methylphenyl)-3-(thiophen-3-ylmethyl)imidazo[1,2-a]pyridine
SMILESCc1ccc(-c2nc3ccc(Cl)cn3c2Cc2ccsc2)cc1
InChIInChI=1S/C19H15ClN2S/c1-13-2-4-15(5-3-13)19-17(10-14-8-9-23-12-14)22-11-16(20)6-7-18(22)21-19/h2-9,11-12H,10H2,1H3
InChIKeyIHLYXHVEFQZMBE-UHFFFAOYSA-N
XLogP5.62
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.86
LogP ≤ 55.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(4-methylphenyl)-3-(thiophen-3-ylmethyl)imidazo[1,2-a]pyridine?
The IUPAC name of 6-chloro-2-(4-methylphenyl)-3-(thiophen-3-ylmethyl)imidazo[1,2-a]pyridine (CID 51361254) is 6-chloro-2-(4-methylphenyl)-3-(thiophen-3-ylmethyl)imidazo[1,2-a]pyridine.
What is the SMILES notation for 6-chloro-2-(4-methylphenyl)-3-(thiophen-3-ylmethyl)imidazo[1,2-a]pyridine?
The canonical SMILES for 6-chloro-2-(4-methylphenyl)-3-(thiophen-3-ylmethyl)imidazo[1,2-a]pyridine is Cc1ccc(-c2nc3ccc(Cl)cn3c2Cc2ccsc2)cc1.
What is the InChIKey of 6-chloro-2-(4-methylphenyl)-3-(thiophen-3-ylmethyl)imidazo[1,2-a]pyridine?
The InChIKey is IHLYXHVEFQZMBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN2S/c1-13-2-4-15(5-3-13)19-17(10-14-8-9-23-12-14)22-11-16(20)6-7-18(22)21-19/h2-9,11-12H,10H2,1H3.
What are the key properties of 6-chloro-2-(4-methylphenyl)-3-(thiophen-3-ylmethyl)imidazo[1,2-a]pyridine?
6-chloro-2-(4-methylphenyl)-3-(thiophen-3-ylmethyl)imidazo[1,2-a]pyridine has a molecular weight of 338.86 g/mol, XLogP of 5.62, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-(4-methylphenyl)-3-(thiophen-3-ylmethyl)imidazo[1,2-a]pyridine is sourced from PubChem (CID 51361254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).