5-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-3-[(3,4-dichlorophenyl)methyl]-1,2,4-oxadiazole

C22H13Cl3N4O — CID 155254963

IUPAC5-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-3-[(3,4-dichlorophenyl)methyl]-1,2,4-oxadiazole
SMILESClc1ccc(-c2nc3ccccn3c2-c2nc(Cc3ccc(Cl)c(Cl)c3)no2)cc1
InChIInChI=1S/C22H13Cl3N4O/c23-15-7-5-14(6-8-15)20-21(29-10-2-1-3-19(29)27-20)22-26-18(28-30-22)12-13-4-9-16(24)17(25)11-13/h1-11H,12H2
InChIKeyDALMPAIVTSRLSJ-UHFFFAOYSA-N
MW455.73 g/mol
LogP6.60
Rot. Bonds4

About 5-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-3-[(3,4-dichlorophenyl)methyl]-1,2,4-oxadiazole

5-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-3-[(3,4-dichlorophenyl)methyl]-1,2,4-oxadiazole (PubChem CID 155254963) has the molecular formula C22H13Cl3N4O and a molecular weight of 455.73 g/mol. Its IUPAC name is 5-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-3-[(3,4-dichlorophenyl)methyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-3-[(3,4-dichlorophenyl)methyl]-1,2,4-oxadiazole
PubChem CID155254963
Molecular FormulaC22H13Cl3N4O
Molecular Weight455.73 g/mol
Exact Mass454.02
IUPAC Name5-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-3-[(3,4-dichlorophenyl)methyl]-1,2,4-oxadiazole
SMILESClc1ccc(-c2nc3ccccn3c2-c2nc(Cc3ccc(Cl)c(Cl)c3)no2)cc1
InChIInChI=1S/C22H13Cl3N4O/c23-15-7-5-14(6-8-15)20-21(29-10-2-1-3-19(29)27-20)22-26-18(28-30-22)12-13-4-9-16(24)17(25)11-13/h1-11H,12H2
InChIKeyDALMPAIVTSRLSJ-UHFFFAOYSA-N
XLogP6.60
TPSA56.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.73
LogP ≤ 56.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-3-[(3,4-dichlorophenyl)methyl]-1,2,4-oxadiazole 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 5-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-3-[(3,4-dichlorophenyl)methyl]-1,2,4-oxadiazole?
The IUPAC name of 5-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-3-[(3,4-dichlorophenyl)methyl]-1,2,4-oxadiazole (CID 155254963) is 5-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-3-[(3,4-dichlorophenyl)methyl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-3-[(3,4-dichlorophenyl)methyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-3-[(3,4-dichlorophenyl)methyl]-1,2,4-oxadiazole is Clc1ccc(-c2nc3ccccn3c2-c2nc(Cc3ccc(Cl)c(Cl)c3)no2)cc1.
What is the InChIKey of 5-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-3-[(3,4-dichlorophenyl)methyl]-1,2,4-oxadiazole?
The InChIKey is DALMPAIVTSRLSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H13Cl3N4O/c23-15-7-5-14(6-8-15)20-21(29-10-2-1-3-19(29)27-20)22-26-18(28-30-22)12-13-4-9-16(24)17(25)11-13/h1-11H,12H2.
What are the key properties of 5-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-3-[(3,4-dichlorophenyl)methyl]-1,2,4-oxadiazole?
5-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-3-[(3,4-dichlorophenyl)methyl]-1,2,4-oxadiazole has a molecular weight of 455.73 g/mol, XLogP of 6.60, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-3-[(3,4-dichlorophenyl)methyl]-1,2,4-oxadiazole is sourced from PubChem (CID 155254963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).