4-[2-[4-chloro-2-(3-methylthiophen-2-yl)imidazol-1-yl]ethyl]piperidine

C15H20ClN3S — CID 141021034

IUPAC4-[2-[4-chloro-2-(3-methylthiophen-2-yl)imidazol-1-yl]ethyl]piperidine
SMILESCc1ccsc1-c1nc(Cl)cn1CCC1CCNCC1
InChIInChI=1S/C15H20ClN3S/c1-11-5-9-20-14(11)15-18-13(16)10-19(15)8-4-12-2-6-17-7-3-12/h5,9-10,12,17H,2-4,6-8H2,1H3
InChIKeyQGULLMYRYYLBAJ-UHFFFAOYSA-N
MW309.87 g/mol
LogP3.96
Rot. Bonds4

About 4-[2-[4-chloro-2-(3-methylthiophen-2-yl)imidazol-1-yl]ethyl]piperidine

4-[2-[4-chloro-2-(3-methylthiophen-2-yl)imidazol-1-yl]ethyl]piperidine (PubChem CID 141021034) has the molecular formula C15H20ClN3S and a molecular weight of 309.87 g/mol. Its IUPAC name is 4-[2-[4-chloro-2-(3-methylthiophen-2-yl)imidazol-1-yl]ethyl]piperidine.

Molecular Properties

Compound Name4-[2-[4-chloro-2-(3-methylthiophen-2-yl)imidazol-1-yl]ethyl]piperidine
PubChem CID141021034
Molecular FormulaC15H20ClN3S
Molecular Weight309.87 g/mol
Exact Mass309.11
IUPAC Name4-[2-[4-chloro-2-(3-methylthiophen-2-yl)imidazol-1-yl]ethyl]piperidine
SMILESCc1ccsc1-c1nc(Cl)cn1CCC1CCNCC1
InChIInChI=1S/C15H20ClN3S/c1-11-5-9-20-14(11)15-18-13(16)10-19(15)8-4-12-2-6-17-7-3-12/h5,9-10,12,17H,2-4,6-8H2,1H3
InChIKeyQGULLMYRYYLBAJ-UHFFFAOYSA-N
XLogP3.96
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.87
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-chloro-2-(3-methylthiophen-2-yl)imidazol-1-yl]ethyl]piperidine?
The IUPAC name of 4-[2-[4-chloro-2-(3-methylthiophen-2-yl)imidazol-1-yl]ethyl]piperidine (CID 141021034) is 4-[2-[4-chloro-2-(3-methylthiophen-2-yl)imidazol-1-yl]ethyl]piperidine.
What is the SMILES notation for 4-[2-[4-chloro-2-(3-methylthiophen-2-yl)imidazol-1-yl]ethyl]piperidine?
The canonical SMILES for 4-[2-[4-chloro-2-(3-methylthiophen-2-yl)imidazol-1-yl]ethyl]piperidine is Cc1ccsc1-c1nc(Cl)cn1CCC1CCNCC1.
What is the InChIKey of 4-[2-[4-chloro-2-(3-methylthiophen-2-yl)imidazol-1-yl]ethyl]piperidine?
The InChIKey is QGULLMYRYYLBAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3S/c1-11-5-9-20-14(11)15-18-13(16)10-19(15)8-4-12-2-6-17-7-3-12/h5,9-10,12,17H,2-4,6-8H2,1H3.
What are the key properties of 4-[2-[4-chloro-2-(3-methylthiophen-2-yl)imidazol-1-yl]ethyl]piperidine?
4-[2-[4-chloro-2-(3-methylthiophen-2-yl)imidazol-1-yl]ethyl]piperidine has a molecular weight of 309.87 g/mol, XLogP of 3.96, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-chloro-2-(3-methylthiophen-2-yl)imidazol-1-yl]ethyl]piperidine is sourced from PubChem (CID 141021034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).