2-benzyl-5-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-1,3,4-oxadiazole

C17H13ClN4OS — CID 40583538

IUPAC2-benzyl-5-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-1,3,4-oxadiazole
SMILESClc1ccc2nc(CSc3nnc(Cc4ccccc4)o3)cn2c1
InChIInChI=1S/C17H13ClN4OS/c18-13-6-7-15-19-14(10-22(15)9-13)11-24-17-21-20-16(23-17)8-12-4-2-1-3-5-12/h1-7,9-10H,8,11H2
InChIKeyDZSSUNABYTZSHE-UHFFFAOYSA-N
MW356.84 g/mol
LogP4.25
Rot. Bonds5

About 2-benzyl-5-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-1,3,4-oxadiazole

2-benzyl-5-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-1,3,4-oxadiazole (PubChem CID 40583538) has the molecular formula C17H13ClN4OS and a molecular weight of 356.84 g/mol. Its IUPAC name is 2-benzyl-5-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-benzyl-5-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-1,3,4-oxadiazole
PubChem CID40583538
Molecular FormulaC17H13ClN4OS
Molecular Weight356.84 g/mol
Exact Mass356.05
IUPAC Name2-benzyl-5-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-1,3,4-oxadiazole
SMILESClc1ccc2nc(CSc3nnc(Cc4ccccc4)o3)cn2c1
InChIInChI=1S/C17H13ClN4OS/c18-13-6-7-15-19-14(10-22(15)9-13)11-24-17-21-20-16(23-17)8-12-4-2-1-3-5-12/h1-7,9-10H,8,11H2
InChIKeyDZSSUNABYTZSHE-UHFFFAOYSA-N
XLogP4.25
TPSA56.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.84
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-benzyl-5-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-1,3,4-oxadiazole with MolForge

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Related Compounds

2-(benzylsulfanylmethyl)-6-chloroimidazo[1,2-a]pyridine
CID 4564792
2-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-5-pyridin-3-yl-1,3,4-oxadiazole
CID 30124548
6-chloro-2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanylmethyl]imidazo[1,2-a]pyridine
CID 6415925
2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1-(4-chlorophenyl)ethanone
CID 854782
2-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-1,3,4-thiadiazole
CID 46795169
2-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]ethyl-trimethylsilane
CID 165473185
6-chloro-2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]imidazo[1,2-a]pyridine
CID 40583645
4-[3-[5-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]phenyl]sulfonylmorpholine
CID 4968850
2-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]acetic acid
CID 4262836
3-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-5-(2-chlorophenyl)-1,2,4-triazol-4-amine
CID 84601588
2-benzyl-5-(6-chloro-3-fluoroimidazo[1,2-a]pyridin-2-yl)-1,3,4-oxadiazole
CID 46949520
2-[(3-chlorophenyl)methylsulfanyl]-5-[(4-methoxyphenyl)methyl]-1,3,4-oxadiazole
CID 56735072

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-5-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-1,3,4-oxadiazole?
The IUPAC name of 2-benzyl-5-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-1,3,4-oxadiazole (CID 40583538) is 2-benzyl-5-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-benzyl-5-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-benzyl-5-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-1,3,4-oxadiazole is Clc1ccc2nc(CSc3nnc(Cc4ccccc4)o3)cn2c1.
What is the InChIKey of 2-benzyl-5-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-1,3,4-oxadiazole?
The InChIKey is DZSSUNABYTZSHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN4OS/c18-13-6-7-15-19-14(10-22(15)9-13)11-24-17-21-20-16(23-17)8-12-4-2-1-3-5-12/h1-7,9-10H,8,11H2.
What are the key properties of 2-benzyl-5-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-1,3,4-oxadiazole?
2-benzyl-5-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-1,3,4-oxadiazole has a molecular weight of 356.84 g/mol, XLogP of 4.25, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-5-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-1,3,4-oxadiazole is sourced from PubChem (CID 40583538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).