6-benzylsulfanyl-2-(2-phenylethyl)imidazo[1,2-b]pyridazine

C21H19N3S — CID 15032574

IUPAC6-benzylsulfanyl-2-(2-phenylethyl)imidazo[1,2-b]pyridazine
SMILESc1ccc(CCc2cn3nc(SCc4ccccc4)ccc3n2)cc1
InChIInChI=1S/C21H19N3S/c1-3-7-17(8-4-1)11-12-19-15-24-20(22-19)13-14-21(23-24)25-16-18-9-5-2-6-10-18/h1-10,13-15H,11-12,16H2
InChIKeyJNHFXKPMLRQXET-UHFFFAOYSA-N
MW345.47 g/mol
LogP4.81
Rot. Bonds6

About 6-benzylsulfanyl-2-(2-phenylethyl)imidazo[1,2-b]pyridazine

6-benzylsulfanyl-2-(2-phenylethyl)imidazo[1,2-b]pyridazine (PubChem CID 15032574) has the molecular formula C21H19N3S and a molecular weight of 345.47 g/mol. Its IUPAC name is 6-benzylsulfanyl-2-(2-phenylethyl)imidazo[1,2-b]pyridazine.

Molecular Properties

Compound Name6-benzylsulfanyl-2-(2-phenylethyl)imidazo[1,2-b]pyridazine
PubChem CID15032574
Molecular FormulaC21H19N3S
Molecular Weight345.47 g/mol
Exact Mass345.13
IUPAC Name6-benzylsulfanyl-2-(2-phenylethyl)imidazo[1,2-b]pyridazine
SMILESc1ccc(CCc2cn3nc(SCc4ccccc4)ccc3n2)cc1
InChIInChI=1S/C21H19N3S/c1-3-7-17(8-4-1)11-12-19-15-24-20(22-19)13-14-21(23-24)25-16-18-9-5-2-6-10-18/h1-10,13-15H,11-12,16H2
InChIKeyJNHFXKPMLRQXET-UHFFFAOYSA-N
XLogP4.81
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.47
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-benzylsulfanyl-2-[(E)-2-phenylethenyl]imidazo[1,2-b]pyridazine
CID 10405185
4-benzylsulfanyl-1-methylimidazole
CID 19810957
N-methyl-2-(6-phenylimidazo[1,2-b]pyridazin-2-yl)ethanamine
CID 116821620
4-benzylsulfanyltriazol-1-amine
CID 21423107
(6-benzylsulfanyl-2-methyl-3-pyridinyl)methanamine
CID 102546182
N-[2-(6-benzylsulfanyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl]benzamide
CID 7207571
3-benzylsulfanyl-1-(2,2-difluoroethyl)pyrazole
CID 164931939
2-[6-(2-phenylethyl)-2-pyridinyl]ethanol
CID 117001687
6-benzylsulfanyl-2-chloropyridin-3-amine
CID 177315532
2-(6-benzylsulfanyl-3-pyridinyl)ethanol
CID 102546728
benzene;2-phenylethylbenzene
CID 18982764
2-benzylsulfanyl-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 14155088

Frequently Asked Questions

What is the IUPAC name of 6-benzylsulfanyl-2-(2-phenylethyl)imidazo[1,2-b]pyridazine?
The IUPAC name of 6-benzylsulfanyl-2-(2-phenylethyl)imidazo[1,2-b]pyridazine (CID 15032574) is 6-benzylsulfanyl-2-(2-phenylethyl)imidazo[1,2-b]pyridazine.
What is the SMILES notation for 6-benzylsulfanyl-2-(2-phenylethyl)imidazo[1,2-b]pyridazine?
The canonical SMILES for 6-benzylsulfanyl-2-(2-phenylethyl)imidazo[1,2-b]pyridazine is c1ccc(CCc2cn3nc(SCc4ccccc4)ccc3n2)cc1.
What is the InChIKey of 6-benzylsulfanyl-2-(2-phenylethyl)imidazo[1,2-b]pyridazine?
The InChIKey is JNHFXKPMLRQXET-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3S/c1-3-7-17(8-4-1)11-12-19-15-24-20(22-19)13-14-21(23-24)25-16-18-9-5-2-6-10-18/h1-10,13-15H,11-12,16H2.
What are the key properties of 6-benzylsulfanyl-2-(2-phenylethyl)imidazo[1,2-b]pyridazine?
6-benzylsulfanyl-2-(2-phenylethyl)imidazo[1,2-b]pyridazine has a molecular weight of 345.47 g/mol, XLogP of 4.81, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzylsulfanyl-2-(2-phenylethyl)imidazo[1,2-b]pyridazine is sourced from PubChem (CID 15032574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).