4-[[4-[2-(4-methylsulfanylphenyl)imidazol-1-yl]piperidin-1-yl]methyl]pyridine

C21H24N4S — CID 56863611

IUPAC4-[[4-[2-(4-methylsulfanylphenyl)imidazol-1-yl]piperidin-1-yl]methyl]pyridine
SMILESCSc1ccc(-c2nccn2C2CCN(Cc3ccncc3)CC2)cc1
InChIInChI=1S/C21H24N4S/c1-26-20-4-2-18(3-5-20)21-23-12-15-25(21)19-8-13-24(14-9-19)16-17-6-10-22-11-7-17/h2-7,10-12,15,19H,8-9,13-14,16H2,1H3
InChIKeyFWODKLLEKSXYJC-UHFFFAOYSA-N
MW364.52 g/mol
LogP4.50
Rot. Bonds5

About 4-[[4-[2-(4-methylsulfanylphenyl)imidazol-1-yl]piperidin-1-yl]methyl]pyridine

4-[[4-[2-(4-methylsulfanylphenyl)imidazol-1-yl]piperidin-1-yl]methyl]pyridine (PubChem CID 56863611) has the molecular formula C21H24N4S and a molecular weight of 364.52 g/mol. Its IUPAC name is 4-[[4-[2-(4-methylsulfanylphenyl)imidazol-1-yl]piperidin-1-yl]methyl]pyridine.

Molecular Properties

Compound Name4-[[4-[2-(4-methylsulfanylphenyl)imidazol-1-yl]piperidin-1-yl]methyl]pyridine
PubChem CID56863611
Molecular FormulaC21H24N4S
Molecular Weight364.52 g/mol
Exact Mass364.17
IUPAC Name4-[[4-[2-(4-methylsulfanylphenyl)imidazol-1-yl]piperidin-1-yl]methyl]pyridine
SMILESCSc1ccc(-c2nccn2C2CCN(Cc3ccncc3)CC2)cc1
InChIInChI=1S/C21H24N4S/c1-26-20-4-2-18(3-5-20)21-23-12-15-25(21)19-8-13-24(14-9-19)16-17-6-10-22-11-7-17/h2-7,10-12,15,19H,8-9,13-14,16H2,1H3
InChIKeyFWODKLLEKSXYJC-UHFFFAOYSA-N
XLogP4.50
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.52
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[2-[2-(4-methylsulfanylphenyl)imidazol-1-yl]propyl]pyridine
CID 56899751
ethane;4-methyl-1-[(4-methylsulfanylphenyl)methyl]piperidine
CID 145130487
1-[(1-methylimidazol-2-yl)methyl]-4-[(4-methylsulfanylphenyl)methyl]piperazine
CID 77080320
2-(4-methylsulfanylphenyl)-1-[(3S,4S)-4-pyrrolidin-1-yloxolan-3-yl]imidazole
CID 133123659
1-(1-ethylpyrrolidin-3-yl)-2-(4-imidazol-1-ylphenyl)imidazole
CID 154820358
2,6-dimethyl-4-[1-[(4-methylsulfanylphenyl)methyl]piperidin-4-yl]morpholine
CID 2910746
4-[[4-(4-methylphenoxy)piperidin-1-yl]methyl]pyridine
CID 90245740
4-[[4-(chloromethyl)piperidin-1-yl]methyl]pyridine
CID 63387556
1-(pyridin-4-ylmethyl)-4-[[4-[[4-(pyridin-4-ylmethyl)piperazin-1-yl]methyl]phenyl]methyl]piperazine
CID 132515507
4-[1-(thiolan-3-yl)imidazol-2-yl]pyridine
CID 155910854
2-[4-[1-(4-methoxycyclohexyl)imidazol-2-yl]phenyl]ethanamine
CID 165417099
1-(1-benzylpiperidin-4-yl)-4-[(4-methylsulfanylphenyl)methyl]piperazine;oxalic acid
CID 90483967

Frequently Asked Questions

What is the IUPAC name of 4-[[4-[2-(4-methylsulfanylphenyl)imidazol-1-yl]piperidin-1-yl]methyl]pyridine?
The IUPAC name of 4-[[4-[2-(4-methylsulfanylphenyl)imidazol-1-yl]piperidin-1-yl]methyl]pyridine (CID 56863611) is 4-[[4-[2-(4-methylsulfanylphenyl)imidazol-1-yl]piperidin-1-yl]methyl]pyridine.
What is the SMILES notation for 4-[[4-[2-(4-methylsulfanylphenyl)imidazol-1-yl]piperidin-1-yl]methyl]pyridine?
The canonical SMILES for 4-[[4-[2-(4-methylsulfanylphenyl)imidazol-1-yl]piperidin-1-yl]methyl]pyridine is CSc1ccc(-c2nccn2C2CCN(Cc3ccncc3)CC2)cc1.
What is the InChIKey of 4-[[4-[2-(4-methylsulfanylphenyl)imidazol-1-yl]piperidin-1-yl]methyl]pyridine?
The InChIKey is FWODKLLEKSXYJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4S/c1-26-20-4-2-18(3-5-20)21-23-12-15-25(21)19-8-13-24(14-9-19)16-17-6-10-22-11-7-17/h2-7,10-12,15,19H,8-9,13-14,16H2,1H3.
What are the key properties of 4-[[4-[2-(4-methylsulfanylphenyl)imidazol-1-yl]piperidin-1-yl]methyl]pyridine?
4-[[4-[2-(4-methylsulfanylphenyl)imidazol-1-yl]piperidin-1-yl]methyl]pyridine has a molecular weight of 364.52 g/mol, XLogP of 4.50, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[2-(4-methylsulfanylphenyl)imidazol-1-yl]piperidin-1-yl]methyl]pyridine is sourced from PubChem (CID 56863611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).