4-methyl-2-methylsulfanyl-5-[2-[1-(2-methylsulfanylpropyl)piperidin-2-yl]-1H-imidazol-5-yl]pyridine

C19H28N4S2 — CID 174162371

IUPAC4-methyl-2-methylsulfanyl-5-[2-[1-(2-methylsulfanylpropyl)piperidin-2-yl]-1H-imidazol-5-yl]pyridine
SMILESCSc1cc(C)c(-c2cnc(C3CCCCN3CC(C)SC)[nH]2)cn1
InChIInChI=1S/C19H28N4S2/c1-13-9-18(25-4)20-10-15(13)16-11-21-19(22-16)17-7-5-6-8-23(17)12-14(2)24-3/h9-11,14,17H,5-8,12H2,1-4H3,(H,21,22)
InChIKeyLTGGXAKCPJNOKT-UHFFFAOYSA-N
MW376.60 g/mol
LogP4.78
Rot. Bonds6

About 4-methyl-2-methylsulfanyl-5-[2-[1-(2-methylsulfanylpropyl)piperidin-2-yl]-1H-imidazol-5-yl]pyridine

4-methyl-2-methylsulfanyl-5-[2-[1-(2-methylsulfanylpropyl)piperidin-2-yl]-1H-imidazol-5-yl]pyridine (PubChem CID 174162371) has the molecular formula C19H28N4S2 and a molecular weight of 376.60 g/mol. Its IUPAC name is 4-methyl-2-methylsulfanyl-5-[2-[1-(2-methylsulfanylpropyl)piperidin-2-yl]-1H-imidazol-5-yl]pyridine.

Molecular Properties

Compound Name4-methyl-2-methylsulfanyl-5-[2-[1-(2-methylsulfanylpropyl)piperidin-2-yl]-1H-imidazol-5-yl]pyridine
PubChem CID174162371
Molecular FormulaC19H28N4S2
Molecular Weight376.60 g/mol
Exact Mass376.18
IUPAC Name4-methyl-2-methylsulfanyl-5-[2-[1-(2-methylsulfanylpropyl)piperidin-2-yl]-1H-imidazol-5-yl]pyridine
SMILESCSc1cc(C)c(-c2cnc(C3CCCCN3CC(C)SC)[nH]2)cn1
InChIInChI=1S/C19H28N4S2/c1-13-9-18(25-4)20-10-15(13)16-11-21-19(22-16)17-7-5-6-8-23(17)12-14(2)24-3/h9-11,14,17H,5-8,12H2,1-4H3,(H,21,22)
InChIKeyLTGGXAKCPJNOKT-UHFFFAOYSA-N
XLogP4.78
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.60
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[5-(2,5-dimethylphenyl)-1H-imidazol-2-yl]-1-(2-methylsulfanylpropyl)piperidine
CID 174165185
4-[2-[1-(2-methylsulfanylpropyl)piperidin-2-yl]-1H-imidazol-5-yl]pyridine
CID 174162673
3-methoxy-4-[2-[1-(2-methylsulfanylpropyl)piperidin-2-yl]-1H-imidazol-5-yl]-1,2-thiazole
CID 174162500
1-[2-[5-(4-fluorophenyl)-1H-imidazol-2-yl]piperidin-1-yl]-2-methylsulfanylpropan-1-one
CID 138046241
2-amino-4-[(2S)-2-[5-[4-[4-[2-[(2S)-1-(3-amino-2-methyl-4-oxobutyl)pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methylbutanal
CID 87525715
2-chloro-3-methyl-5-(1-propan-2-ylpiperidin-2-yl)pyridine
CID 102542433
4-[[2-[5-(4-fluorophenyl)-1H-imidazol-2-yl]pyrrolidin-1-yl]methyl]piperidine
CID 119932633
cyclopropyl-[2-[5-(4-methylphenyl)-1H-imidazol-2-yl]piperidin-1-yl]methanone
CID 163365317
[(1R)-2-oxo-1-phenyl-2-[(2S)-2-[5-[4-[4-[2-[(2S)-1-[(2R)-2-phenylpropyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]ethyl]carbamic acid
CID 69265429
1-[2-[5-(4-methylphenyl)-1H-imidazol-2-yl]piperidin-1-yl]ethanone
CID 162721818
3-methyl-5-[1-(2-methylpropyl)pyrrolidin-2-yl]-2-piperidin-1-ylpyridine
CID 102543140
2-methyl-1-[2-(5-phenyl-1H-imidazol-2-yl)piperidin-1-yl]butan-1-one
CID 138043679

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-methylsulfanyl-5-[2-[1-(2-methylsulfanylpropyl)piperidin-2-yl]-1H-imidazol-5-yl]pyridine?
The IUPAC name of 4-methyl-2-methylsulfanyl-5-[2-[1-(2-methylsulfanylpropyl)piperidin-2-yl]-1H-imidazol-5-yl]pyridine (CID 174162371) is 4-methyl-2-methylsulfanyl-5-[2-[1-(2-methylsulfanylpropyl)piperidin-2-yl]-1H-imidazol-5-yl]pyridine.
What is the SMILES notation for 4-methyl-2-methylsulfanyl-5-[2-[1-(2-methylsulfanylpropyl)piperidin-2-yl]-1H-imidazol-5-yl]pyridine?
The canonical SMILES for 4-methyl-2-methylsulfanyl-5-[2-[1-(2-methylsulfanylpropyl)piperidin-2-yl]-1H-imidazol-5-yl]pyridine is CSc1cc(C)c(-c2cnc(C3CCCCN3CC(C)SC)[nH]2)cn1.
What is the InChIKey of 4-methyl-2-methylsulfanyl-5-[2-[1-(2-methylsulfanylpropyl)piperidin-2-yl]-1H-imidazol-5-yl]pyridine?
The InChIKey is LTGGXAKCPJNOKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4S2/c1-13-9-18(25-4)20-10-15(13)16-11-21-19(22-16)17-7-5-6-8-23(17)12-14(2)24-3/h9-11,14,17H,5-8,12H2,1-4H3,(H,21,22).
What are the key properties of 4-methyl-2-methylsulfanyl-5-[2-[1-(2-methylsulfanylpropyl)piperidin-2-yl]-1H-imidazol-5-yl]pyridine?
4-methyl-2-methylsulfanyl-5-[2-[1-(2-methylsulfanylpropyl)piperidin-2-yl]-1H-imidazol-5-yl]pyridine has a molecular weight of 376.60 g/mol, XLogP of 4.78, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-methylsulfanyl-5-[2-[1-(2-methylsulfanylpropyl)piperidin-2-yl]-1H-imidazol-5-yl]pyridine is sourced from PubChem (CID 174162371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).