8-[(4-methoxyphenyl)methylsulfanyl]-2-phenyl-2,3,5,6,7,8-hexahydroimidazo[1,2-a]pyridine

C21H24N2OS — CID 13389115

IUPAC8-[(4-methoxyphenyl)methylsulfanyl]-2-phenyl-2,3,5,6,7,8-hexahydroimidazo[1,2-a]pyridine
SMILESCOc1ccc(CSC2CCCN3CC(c4ccccc4)N=C23)cc1
InChIInChI=1S/C21H24N2OS/c1-24-18-11-9-16(10-12-18)15-25-20-8-5-13-23-14-19(22-21(20)23)17-6-3-2-4-7-17/h2-4,6-7,9-12,19-20H,5,8,13-15H2,1H3
InChIKeyYWJYXWUZJLAVJP-UHFFFAOYSA-N
MW352.50 g/mol
LogP4.55
Rot. Bonds5

About 8-[(4-methoxyphenyl)methylsulfanyl]-2-phenyl-2,3,5,6,7,8-hexahydroimidazo[1,2-a]pyridine

8-[(4-methoxyphenyl)methylsulfanyl]-2-phenyl-2,3,5,6,7,8-hexahydroimidazo[1,2-a]pyridine (PubChem CID 13389115) has the molecular formula C21H24N2OS and a molecular weight of 352.50 g/mol. Its IUPAC name is 8-[(4-methoxyphenyl)methylsulfanyl]-2-phenyl-2,3,5,6,7,8-hexahydroimidazo[1,2-a]pyridine.

Molecular Properties

Compound Name8-[(4-methoxyphenyl)methylsulfanyl]-2-phenyl-2,3,5,6,7,8-hexahydroimidazo[1,2-a]pyridine
PubChem CID13389115
Molecular FormulaC21H24N2OS
Molecular Weight352.50 g/mol
Exact Mass352.16
IUPAC Name8-[(4-methoxyphenyl)methylsulfanyl]-2-phenyl-2,3,5,6,7,8-hexahydroimidazo[1,2-a]pyridine
SMILESCOc1ccc(CSC2CCCN3CC(c4ccccc4)N=C23)cc1
InChIInChI=1S/C21H24N2OS/c1-24-18-11-9-16(10-12-18)15-25-20-8-5-13-23-14-19(22-21(20)23)17-6-3-2-4-7-17/h2-4,6-7,9-12,19-20H,5,8,13-15H2,1H3
InChIKeyYWJYXWUZJLAVJP-UHFFFAOYSA-N
XLogP4.55
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.50
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 8-[(4-methoxyphenyl)methylsulfanyl]-2-phenyl-2,3,5,6,7,8-hexahydroimidazo[1,2-a]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-methoxyphenyl)-3,5,6,7-tetrahydro-2H-pyrrolo[1,2-a]imidazole
CID 23310773
3-[(4-methoxyphenyl)methylsulfanyl]-1-azabicyclo[2.2.2]octane
CID 19797265
2-(4-methoxyphenyl)-1,2-dihydroimidazo[2,1-b][1,3]benzothiazole
CID 14118925
2-phenyl-3,5,6,7,8,9-hexahydro-2H-imidazo[1,2-a]azepine
CID 13320887
ethyl 6-[(4-methoxyphenyl)methylsulfanyl]cyclohexene-1-carboxylate
CID 22026134
(3R)-1-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]piperidin-3-amine
CID 95387512
6-[(4-methoxyphenyl)methylsulfanyl]-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-amine
CID 15077387
N-[(4-methoxyphenyl)methyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 3221424
(4R,5R,6S)-5-[(4-methoxyphenyl)methylsulfanyl]-4-methyl-6-phenyl-1,3-diazinan-2-one
CID 24755297
N-[(4-methoxyphenyl)methyl]-1-(2-phenylpyrimidin-4-yl)piperidine-3-carboxamide
CID 53071449
5-[(4-methoxyphenyl)methylsulfanyl]-1-methyl-5,6-dihydro-4H-pyrimidin-2-amine
CID 54570242
2-[(4-methoxyphenyl)methoxycarbonyl]pyrrolidine-1-carboxylic acid
CID 175383774

Frequently Asked Questions

What is the IUPAC name of 8-[(4-methoxyphenyl)methylsulfanyl]-2-phenyl-2,3,5,6,7,8-hexahydroimidazo[1,2-a]pyridine?
The IUPAC name of 8-[(4-methoxyphenyl)methylsulfanyl]-2-phenyl-2,3,5,6,7,8-hexahydroimidazo[1,2-a]pyridine (CID 13389115) is 8-[(4-methoxyphenyl)methylsulfanyl]-2-phenyl-2,3,5,6,7,8-hexahydroimidazo[1,2-a]pyridine.
What is the SMILES notation for 8-[(4-methoxyphenyl)methylsulfanyl]-2-phenyl-2,3,5,6,7,8-hexahydroimidazo[1,2-a]pyridine?
The canonical SMILES for 8-[(4-methoxyphenyl)methylsulfanyl]-2-phenyl-2,3,5,6,7,8-hexahydroimidazo[1,2-a]pyridine is COc1ccc(CSC2CCCN3CC(c4ccccc4)N=C23)cc1.
What is the InChIKey of 8-[(4-methoxyphenyl)methylsulfanyl]-2-phenyl-2,3,5,6,7,8-hexahydroimidazo[1,2-a]pyridine?
The InChIKey is YWJYXWUZJLAVJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2OS/c1-24-18-11-9-16(10-12-18)15-25-20-8-5-13-23-14-19(22-21(20)23)17-6-3-2-4-7-17/h2-4,6-7,9-12,19-20H,5,8,13-15H2,1H3.
What are the key properties of 8-[(4-methoxyphenyl)methylsulfanyl]-2-phenyl-2,3,5,6,7,8-hexahydroimidazo[1,2-a]pyridine?
8-[(4-methoxyphenyl)methylsulfanyl]-2-phenyl-2,3,5,6,7,8-hexahydroimidazo[1,2-a]pyridine has a molecular weight of 352.50 g/mol, XLogP of 4.55, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(4-methoxyphenyl)methylsulfanyl]-2-phenyl-2,3,5,6,7,8-hexahydroimidazo[1,2-a]pyridine is sourced from PubChem (CID 13389115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).