4-[[2-(5-chlorothiophen-2-yl)imidazol-1-yl]methyl]piperidine;dihydrochloride

C13H18Cl3N3S — CID 171340117

IUPAC4-[[2-(5-chlorothiophen-2-yl)imidazol-1-yl]methyl]piperidine;dihydrochloride
SMILESCl.Cl.Clc1ccc(-c2nccn2CC2CCNCC2)s1
InChIInChI=1S/C13H16ClN3S.2ClH/c14-12-2-1-11(18-12)13-16-7-8-17(13)9-10-3-5-15-6-4-10;;/h1-2,7-8,10,15H,3-6,9H2;2*1H
InChIKeyYHMIZJJLASLSNP-UHFFFAOYSA-N
MW354.73 g/mol
LogP4.11
Rot. Bonds3

About 4-[[2-(5-chlorothiophen-2-yl)imidazol-1-yl]methyl]piperidine;dihydrochloride

4-[[2-(5-chlorothiophen-2-yl)imidazol-1-yl]methyl]piperidine;dihydrochloride (PubChem CID 171340117) has the molecular formula C13H18Cl3N3S and a molecular weight of 354.73 g/mol. Its IUPAC name is 4-[[2-(5-chlorothiophen-2-yl)imidazol-1-yl]methyl]piperidine;dihydrochloride.

Molecular Properties

Compound Name4-[[2-(5-chlorothiophen-2-yl)imidazol-1-yl]methyl]piperidine;dihydrochloride
PubChem CID171340117
Molecular FormulaC13H18Cl3N3S
Molecular Weight354.73 g/mol
Exact Mass353.03
IUPAC Name4-[[2-(5-chlorothiophen-2-yl)imidazol-1-yl]methyl]piperidine;dihydrochloride
SMILESCl.Cl.Clc1ccc(-c2nccn2CC2CCNCC2)s1
InChIInChI=1S/C13H16ClN3S.2ClH/c14-12-2-1-11(18-12)13-16-7-8-17(13)9-10-3-5-15-6-4-10;;/h1-2,7-8,10,15H,3-6,9H2;2*1H
InChIKeyYHMIZJJLASLSNP-UHFFFAOYSA-N
XLogP4.11
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.73
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[[2-(5-chlorothiophen-2-yl)imidazol-1-yl]methyl]piperidine;dihydrochloride with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(5-chlorothiophen-2-yl)imidazol-1-yl]methyl]piperidine;dihydrochloride?
The IUPAC name of 4-[[2-(5-chlorothiophen-2-yl)imidazol-1-yl]methyl]piperidine;dihydrochloride (CID 171340117) is 4-[[2-(5-chlorothiophen-2-yl)imidazol-1-yl]methyl]piperidine;dihydrochloride.
What is the SMILES notation for 4-[[2-(5-chlorothiophen-2-yl)imidazol-1-yl]methyl]piperidine;dihydrochloride?
The canonical SMILES for 4-[[2-(5-chlorothiophen-2-yl)imidazol-1-yl]methyl]piperidine;dihydrochloride is Cl.Cl.Clc1ccc(-c2nccn2CC2CCNCC2)s1.
What is the InChIKey of 4-[[2-(5-chlorothiophen-2-yl)imidazol-1-yl]methyl]piperidine;dihydrochloride?
The InChIKey is YHMIZJJLASLSNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3S.2ClH/c14-12-2-1-11(18-12)13-16-7-8-17(13)9-10-3-5-15-6-4-10;;/h1-2,7-8,10,15H,3-6,9H2;2*1H.
What are the key properties of 4-[[2-(5-chlorothiophen-2-yl)imidazol-1-yl]methyl]piperidine;dihydrochloride?
4-[[2-(5-chlorothiophen-2-yl)imidazol-1-yl]methyl]piperidine;dihydrochloride has a molecular weight of 354.73 g/mol, XLogP of 4.11, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(5-chlorothiophen-2-yl)imidazol-1-yl]methyl]piperidine;dihydrochloride is sourced from PubChem (CID 171340117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).