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

C17H24N4S — CID 174162673

IUPAC4-[2-[1-(2-methylsulfanylpropyl)piperidin-2-yl]-1H-imidazol-5-yl]pyridine
SMILESCSC(C)CN1CCCCC1c1ncc(-c2ccncc2)[nH]1
InChIInChI=1S/C17H24N4S/c1-13(22-2)12-21-10-4-3-5-16(21)17-19-11-15(20-17)14-6-8-18-9-7-14/h6-9,11,13,16H,3-5,10,12H2,1-2H3,(H,19,20)
InChIKeyOMKLJJBXGLTKAR-UHFFFAOYSA-N
MW316.47 g/mol
LogP3.75
Rot. Bonds5

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

4-[2-[1-(2-methylsulfanylpropyl)piperidin-2-yl]-1H-imidazol-5-yl]pyridine (PubChem CID 174162673) has the molecular formula C17H24N4S and a molecular weight of 316.47 g/mol. Its IUPAC name is 4-[2-[1-(2-methylsulfanylpropyl)piperidin-2-yl]-1H-imidazol-5-yl]pyridine.

Molecular Properties

Compound Name4-[2-[1-(2-methylsulfanylpropyl)piperidin-2-yl]-1H-imidazol-5-yl]pyridine
PubChem CID174162673
Molecular FormulaC17H24N4S
Molecular Weight316.47 g/mol
Exact Mass316.17
IUPAC Name4-[2-[1-(2-methylsulfanylpropyl)piperidin-2-yl]-1H-imidazol-5-yl]pyridine
SMILESCSC(C)CN1CCCCC1c1ncc(-c2ccncc2)[nH]1
InChIInChI=1S/C17H24N4S/c1-13(22-2)12-21-10-4-3-5-16(21)17-19-11-15(20-17)14-6-8-18-9-7-14/h6-9,11,13,16H,3-5,10,12H2,1-2H3,(H,19,20)
InChIKeyOMKLJJBXGLTKAR-UHFFFAOYSA-N
XLogP3.75
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.47
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[2-[1-(2-methylsulfanylpropyl)piperidin-2-yl]-1H-imidazol-5-yl]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-[5-(2,5-dimethylphenyl)-1H-imidazol-2-yl]-1-(2-methylsulfanylpropyl)piperidine
CID 174165185
3-methoxy-4-[2-[1-(2-methylsulfanylpropyl)piperidin-2-yl]-1H-imidazol-5-yl]-1,2-thiazole
CID 174162500
4-methyl-2-methylsulfanyl-5-[2-[1-(2-methylsulfanylpropyl)piperidin-2-yl]-1H-imidazol-5-yl]pyridine
CID 174162371
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
1-[2-[5-(4-fluorophenyl)-1H-imidazol-2-yl]piperidin-1-yl]-2-methylsulfanylpropan-1-one
CID 138046241
(3R)-4-propan-2-yl-3-(5-pyridin-4-yl-1H-imidazol-2-yl)morpholine
CID 71694197
cyclopropyl-[2-[5-(4-methylphenyl)-1H-imidazol-2-yl]piperidin-1-yl]methanone
CID 163365317
2-methyl-1-[2-(5-phenyl-1H-imidazol-2-yl)piperidin-1-yl]butan-1-one
CID 138043679
1-[2-[5-(4-methylphenyl)-1H-imidazol-2-yl]piperidin-1-yl]ethanone
CID 162721818
4-[[2-[5-(4-fluorophenyl)-1H-imidazol-2-yl]pyrrolidin-1-yl]methyl]piperidine
CID 119932633
[(2S)-2-[5-[4-[4-[2-(1-phosphanylpyrrolidin-2-yl)-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]phosphane
CID 126554399
4-[(4-methylphenyl)methyl]-3-(5-pyridin-4-yl-1H-imidazol-2-yl)morpholine
CID 78151212

Frequently Asked Questions

What is the IUPAC name of 4-[2-[1-(2-methylsulfanylpropyl)piperidin-2-yl]-1H-imidazol-5-yl]pyridine?
The IUPAC name of 4-[2-[1-(2-methylsulfanylpropyl)piperidin-2-yl]-1H-imidazol-5-yl]pyridine (CID 174162673) is 4-[2-[1-(2-methylsulfanylpropyl)piperidin-2-yl]-1H-imidazol-5-yl]pyridine.
What is the SMILES notation for 4-[2-[1-(2-methylsulfanylpropyl)piperidin-2-yl]-1H-imidazol-5-yl]pyridine?
The canonical SMILES for 4-[2-[1-(2-methylsulfanylpropyl)piperidin-2-yl]-1H-imidazol-5-yl]pyridine is CSC(C)CN1CCCCC1c1ncc(-c2ccncc2)[nH]1.
What is the InChIKey of 4-[2-[1-(2-methylsulfanylpropyl)piperidin-2-yl]-1H-imidazol-5-yl]pyridine?
The InChIKey is OMKLJJBXGLTKAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4S/c1-13(22-2)12-21-10-4-3-5-16(21)17-19-11-15(20-17)14-6-8-18-9-7-14/h6-9,11,13,16H,3-5,10,12H2,1-2H3,(H,19,20).
What are the key properties of 4-[2-[1-(2-methylsulfanylpropyl)piperidin-2-yl]-1H-imidazol-5-yl]pyridine?
4-[2-[1-(2-methylsulfanylpropyl)piperidin-2-yl]-1H-imidazol-5-yl]pyridine has a molecular weight of 316.47 g/mol, XLogP of 3.75, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[1-(2-methylsulfanylpropyl)piperidin-2-yl]-1H-imidazol-5-yl]pyridine is sourced from PubChem (CID 174162673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).