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

C18H12Cl2N2S — CID 51361270

IUPAC6-chloro-2-(3-chlorophenyl)-3-(thiophen-3-ylmethyl)imidazo[1,2-a]pyridine
SMILESClc1cccc(-c2nc3ccc(Cl)cn3c2Cc2ccsc2)c1
InChIInChI=1S/C18H12Cl2N2S/c19-14-3-1-2-13(9-14)18-16(8-12-6-7-23-11-12)22-10-15(20)4-5-17(22)21-18/h1-7,9-11H,8H2
InChIKeyKAELJNUVHSFCDO-UHFFFAOYSA-N
MW359.28 g/mol
LogP5.96
Rot. Bonds3

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

6-chloro-2-(3-chlorophenyl)-3-(thiophen-3-ylmethyl)imidazo[1,2-a]pyridine (PubChem CID 51361270) has the molecular formula C18H12Cl2N2S and a molecular weight of 359.28 g/mol. Its IUPAC name is 6-chloro-2-(3-chlorophenyl)-3-(thiophen-3-ylmethyl)imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name6-chloro-2-(3-chlorophenyl)-3-(thiophen-3-ylmethyl)imidazo[1,2-a]pyridine
PubChem CID51361270
Molecular FormulaC18H12Cl2N2S
Molecular Weight359.28 g/mol
Exact Mass358.01
IUPAC Name6-chloro-2-(3-chlorophenyl)-3-(thiophen-3-ylmethyl)imidazo[1,2-a]pyridine
SMILESClc1cccc(-c2nc3ccc(Cl)cn3c2Cc2ccsc2)c1
InChIInChI=1S/C18H12Cl2N2S/c19-14-3-1-2-13(9-14)18-16(8-12-6-7-23-11-12)22-10-15(20)4-5-17(22)21-18/h1-7,9-11H,8H2
InChIKeyKAELJNUVHSFCDO-UHFFFAOYSA-N
XLogP5.96
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.28
LogP ≤ 55.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(3-chlorophenyl)-3-(thiophen-3-ylmethyl)imidazo[1,2-a]pyridine?
The IUPAC name of 6-chloro-2-(3-chlorophenyl)-3-(thiophen-3-ylmethyl)imidazo[1,2-a]pyridine (CID 51361270) is 6-chloro-2-(3-chlorophenyl)-3-(thiophen-3-ylmethyl)imidazo[1,2-a]pyridine.
What is the SMILES notation for 6-chloro-2-(3-chlorophenyl)-3-(thiophen-3-ylmethyl)imidazo[1,2-a]pyridine?
The canonical SMILES for 6-chloro-2-(3-chlorophenyl)-3-(thiophen-3-ylmethyl)imidazo[1,2-a]pyridine is Clc1cccc(-c2nc3ccc(Cl)cn3c2Cc2ccsc2)c1.
What is the InChIKey of 6-chloro-2-(3-chlorophenyl)-3-(thiophen-3-ylmethyl)imidazo[1,2-a]pyridine?
The InChIKey is KAELJNUVHSFCDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12Cl2N2S/c19-14-3-1-2-13(9-14)18-16(8-12-6-7-23-11-12)22-10-15(20)4-5-17(22)21-18/h1-7,9-11H,8H2.
What are the key properties of 6-chloro-2-(3-chlorophenyl)-3-(thiophen-3-ylmethyl)imidazo[1,2-a]pyridine?
6-chloro-2-(3-chlorophenyl)-3-(thiophen-3-ylmethyl)imidazo[1,2-a]pyridine has a molecular weight of 359.28 g/mol, XLogP of 5.96, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-(3-chlorophenyl)-3-(thiophen-3-ylmethyl)imidazo[1,2-a]pyridine is sourced from PubChem (CID 51361270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).