2-(5-methyl-4-thiophen-2-yl-1H-imidazol-2-yl)piperidine

C13H17N3S — CID 61335496

IUPAC2-(5-methyl-4-thiophen-2-yl-1H-imidazol-2-yl)piperidine
SMILESCc1[nH]c(C2CCCCN2)nc1-c1cccs1
InChIInChI=1S/C13H17N3S/c1-9-12(11-6-4-8-17-11)16-13(15-9)10-5-2-3-7-14-10/h4,6,8,10,14H,2-3,5,7H2,1H3,(H,15,16)
InChIKeyJAXSBNQGZOWZHV-UHFFFAOYSA-N
MW247.37 g/mol
LogP3.26
Rot. Bonds2

About 2-(5-methyl-4-thiophen-2-yl-1H-imidazol-2-yl)piperidine

2-(5-methyl-4-thiophen-2-yl-1H-imidazol-2-yl)piperidine (PubChem CID 61335496) has the molecular formula C13H17N3S and a molecular weight of 247.37 g/mol. Its IUPAC name is 2-(5-methyl-4-thiophen-2-yl-1H-imidazol-2-yl)piperidine.

Molecular Properties

Compound Name2-(5-methyl-4-thiophen-2-yl-1H-imidazol-2-yl)piperidine
PubChem CID61335496
Molecular FormulaC13H17N3S
Molecular Weight247.37 g/mol
Exact Mass247.11
IUPAC Name2-(5-methyl-4-thiophen-2-yl-1H-imidazol-2-yl)piperidine
SMILESCc1[nH]c(C2CCCCN2)nc1-c1cccs1
InChIInChI=1S/C13H17N3S/c1-9-12(11-6-4-8-17-11)16-13(15-9)10-5-2-3-7-14-10/h4,6,8,10,14H,2-3,5,7H2,1H3,(H,15,16)
InChIKeyJAXSBNQGZOWZHV-UHFFFAOYSA-N
XLogP3.26
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.37
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-4-thiophen-2-yl-1H-imidazol-2-yl)piperidine?
The IUPAC name of 2-(5-methyl-4-thiophen-2-yl-1H-imidazol-2-yl)piperidine (CID 61335496) is 2-(5-methyl-4-thiophen-2-yl-1H-imidazol-2-yl)piperidine.
What is the SMILES notation for 2-(5-methyl-4-thiophen-2-yl-1H-imidazol-2-yl)piperidine?
The canonical SMILES for 2-(5-methyl-4-thiophen-2-yl-1H-imidazol-2-yl)piperidine is Cc1[nH]c(C2CCCCN2)nc1-c1cccs1.
What is the InChIKey of 2-(5-methyl-4-thiophen-2-yl-1H-imidazol-2-yl)piperidine?
The InChIKey is JAXSBNQGZOWZHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3S/c1-9-12(11-6-4-8-17-11)16-13(15-9)10-5-2-3-7-14-10/h4,6,8,10,14H,2-3,5,7H2,1H3,(H,15,16).
What are the key properties of 2-(5-methyl-4-thiophen-2-yl-1H-imidazol-2-yl)piperidine?
2-(5-methyl-4-thiophen-2-yl-1H-imidazol-2-yl)piperidine has a molecular weight of 247.37 g/mol, XLogP of 3.26, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-4-thiophen-2-yl-1H-imidazol-2-yl)piperidine is sourced from PubChem (CID 61335496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).