2-(4-chlorophenyl)-6-[3-(pyrrolidin-1-ylmethyl)phenyl]imidazo[1,2-a]pyridine

C24H22ClN3 — CID 155540265

IUPAC2-(4-chlorophenyl)-6-[3-(pyrrolidin-1-ylmethyl)phenyl]imidazo[1,2-a]pyridine
SMILESClc1ccc(-c2cn3cc(-c4cccc(CN5CCCC5)c4)ccc3n2)cc1
InChIInChI=1S/C24H22ClN3/c25-22-9-6-19(7-10-22)23-17-28-16-21(8-11-24(28)26-23)20-5-3-4-18(14-20)15-27-12-1-2-13-27/h3-11,14,16-17H,1-2,12-13,15H2
InChIKeyYJEPEQMIOFEAEV-UHFFFAOYSA-N
MW387.91 g/mol
LogP5.92
Rot. Bonds4

About 2-(4-chlorophenyl)-6-[3-(pyrrolidin-1-ylmethyl)phenyl]imidazo[1,2-a]pyridine

2-(4-chlorophenyl)-6-[3-(pyrrolidin-1-ylmethyl)phenyl]imidazo[1,2-a]pyridine (PubChem CID 155540265) has the molecular formula C24H22ClN3 and a molecular weight of 387.91 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-6-[3-(pyrrolidin-1-ylmethyl)phenyl]imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name2-(4-chlorophenyl)-6-[3-(pyrrolidin-1-ylmethyl)phenyl]imidazo[1,2-a]pyridine
PubChem CID155540265
Molecular FormulaC24H22ClN3
Molecular Weight387.91 g/mol
Exact Mass387.15
IUPAC Name2-(4-chlorophenyl)-6-[3-(pyrrolidin-1-ylmethyl)phenyl]imidazo[1,2-a]pyridine
SMILESClc1ccc(-c2cn3cc(-c4cccc(CN5CCCC5)c4)ccc3n2)cc1
InChIInChI=1S/C24H22ClN3/c25-22-9-6-19(7-10-22)23-17-28-16-21(8-11-24(28)26-23)20-5-3-4-18(14-20)15-27-12-1-2-13-27/h3-11,14,16-17H,1-2,12-13,15H2
InChIKeyYJEPEQMIOFEAEV-UHFFFAOYSA-N
XLogP5.92
TPSA20.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.91
LogP ≤ 55.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-6-[3-(pyrrolidin-1-ylmethyl)phenyl]imidazo[1,2-a]pyridine?
The IUPAC name of 2-(4-chlorophenyl)-6-[3-(pyrrolidin-1-ylmethyl)phenyl]imidazo[1,2-a]pyridine (CID 155540265) is 2-(4-chlorophenyl)-6-[3-(pyrrolidin-1-ylmethyl)phenyl]imidazo[1,2-a]pyridine.
What is the SMILES notation for 2-(4-chlorophenyl)-6-[3-(pyrrolidin-1-ylmethyl)phenyl]imidazo[1,2-a]pyridine?
The canonical SMILES for 2-(4-chlorophenyl)-6-[3-(pyrrolidin-1-ylmethyl)phenyl]imidazo[1,2-a]pyridine is Clc1ccc(-c2cn3cc(-c4cccc(CN5CCCC5)c4)ccc3n2)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-6-[3-(pyrrolidin-1-ylmethyl)phenyl]imidazo[1,2-a]pyridine?
The InChIKey is YJEPEQMIOFEAEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22ClN3/c25-22-9-6-19(7-10-22)23-17-28-16-21(8-11-24(28)26-23)20-5-3-4-18(14-20)15-27-12-1-2-13-27/h3-11,14,16-17H,1-2,12-13,15H2.
What are the key properties of 2-(4-chlorophenyl)-6-[3-(pyrrolidin-1-ylmethyl)phenyl]imidazo[1,2-a]pyridine?
2-(4-chlorophenyl)-6-[3-(pyrrolidin-1-ylmethyl)phenyl]imidazo[1,2-a]pyridine has a molecular weight of 387.91 g/mol, XLogP of 5.92, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-6-[3-(pyrrolidin-1-ylmethyl)phenyl]imidazo[1,2-a]pyridine is sourced from PubChem (CID 155540265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).