8-imidazol-1-yl-6-methyl-3-(2-phenylethylsulfanylmethyl)imidazo[1,2-a]pyridine

C20H20N4S — CID 44588705

IUPAC8-imidazol-1-yl-6-methyl-3-(2-phenylethylsulfanylmethyl)imidazo[1,2-a]pyridine
SMILESCc1cc(-n2ccnc2)c2ncc(CSCCc3ccccc3)n2c1
InChIInChI=1S/C20H20N4S/c1-16-11-19(23-9-8-21-15-23)20-22-12-18(24(20)13-16)14-25-10-7-17-5-3-2-4-6-17/h2-6,8-9,11-13,15H,7,10,14H2,1H3
InChIKeyYONACTHAXSRHOZ-UHFFFAOYSA-N
MW348.47 g/mol
LogP4.30
Rot. Bonds6

About 8-imidazol-1-yl-6-methyl-3-(2-phenylethylsulfanylmethyl)imidazo[1,2-a]pyridine

8-imidazol-1-yl-6-methyl-3-(2-phenylethylsulfanylmethyl)imidazo[1,2-a]pyridine (PubChem CID 44588705) has the molecular formula C20H20N4S and a molecular weight of 348.47 g/mol. Its IUPAC name is 8-imidazol-1-yl-6-methyl-3-(2-phenylethylsulfanylmethyl)imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name8-imidazol-1-yl-6-methyl-3-(2-phenylethylsulfanylmethyl)imidazo[1,2-a]pyridine
PubChem CID44588705
Molecular FormulaC20H20N4S
Molecular Weight348.47 g/mol
Exact Mass348.14
IUPAC Name8-imidazol-1-yl-6-methyl-3-(2-phenylethylsulfanylmethyl)imidazo[1,2-a]pyridine
SMILESCc1cc(-n2ccnc2)c2ncc(CSCCc3ccccc3)n2c1
InChIInChI=1S/C20H20N4S/c1-16-11-19(23-9-8-21-15-23)20-22-12-18(24(20)13-16)14-25-10-7-17-5-3-2-4-6-17/h2-6,8-9,11-13,15H,7,10,14H2,1H3
InChIKeyYONACTHAXSRHOZ-UHFFFAOYSA-N
XLogP4.30
TPSA35.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.47
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-imidazol-1-yl-6-methyl-3-(2-phenylethylsulfanylmethyl)imidazo[1,2-a]pyridine?
The IUPAC name of 8-imidazol-1-yl-6-methyl-3-(2-phenylethylsulfanylmethyl)imidazo[1,2-a]pyridine (CID 44588705) is 8-imidazol-1-yl-6-methyl-3-(2-phenylethylsulfanylmethyl)imidazo[1,2-a]pyridine.
What is the SMILES notation for 8-imidazol-1-yl-6-methyl-3-(2-phenylethylsulfanylmethyl)imidazo[1,2-a]pyridine?
The canonical SMILES for 8-imidazol-1-yl-6-methyl-3-(2-phenylethylsulfanylmethyl)imidazo[1,2-a]pyridine is Cc1cc(-n2ccnc2)c2ncc(CSCCc3ccccc3)n2c1.
What is the InChIKey of 8-imidazol-1-yl-6-methyl-3-(2-phenylethylsulfanylmethyl)imidazo[1,2-a]pyridine?
The InChIKey is YONACTHAXSRHOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4S/c1-16-11-19(23-9-8-21-15-23)20-22-12-18(24(20)13-16)14-25-10-7-17-5-3-2-4-6-17/h2-6,8-9,11-13,15H,7,10,14H2,1H3.
What are the key properties of 8-imidazol-1-yl-6-methyl-3-(2-phenylethylsulfanylmethyl)imidazo[1,2-a]pyridine?
8-imidazol-1-yl-6-methyl-3-(2-phenylethylsulfanylmethyl)imidazo[1,2-a]pyridine has a molecular weight of 348.47 g/mol, XLogP of 4.30, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-imidazol-1-yl-6-methyl-3-(2-phenylethylsulfanylmethyl)imidazo[1,2-a]pyridine is sourced from PubChem (CID 44588705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).