5-[2-[2-(4-thiophen-3-ylphenyl)ethoxy]phenyl]-1H-imidazole

C21H18N2OS — CID 52933449

IUPAC5-[2-[2-(4-thiophen-3-ylphenyl)ethoxy]phenyl]-1H-imidazole
SMILESc1ccc(-c2cnc[nH]2)c(OCCc2ccc(-c3ccsc3)cc2)c1
InChIInChI=1S/C21H18N2OS/c1-2-4-21(19(3-1)20-13-22-15-23-20)24-11-9-16-5-7-17(8-6-16)18-10-12-25-14-18/h1-8,10,12-15H,9,11H2,(H,22,23)
InChIKeyWMKCLILUOWDCQH-UHFFFAOYSA-N
MW346.46 g/mol
LogP5.43
Rot. Bonds6

About 5-[2-[2-(4-thiophen-3-ylphenyl)ethoxy]phenyl]-1H-imidazole

5-[2-[2-(4-thiophen-3-ylphenyl)ethoxy]phenyl]-1H-imidazole (PubChem CID 52933449) has the molecular formula C21H18N2OS and a molecular weight of 346.46 g/mol. Its IUPAC name is 5-[2-[2-(4-thiophen-3-ylphenyl)ethoxy]phenyl]-1H-imidazole.

Molecular Properties

Compound Name5-[2-[2-(4-thiophen-3-ylphenyl)ethoxy]phenyl]-1H-imidazole
PubChem CID52933449
Molecular FormulaC21H18N2OS
Molecular Weight346.46 g/mol
Exact Mass346.11
IUPAC Name5-[2-[2-(4-thiophen-3-ylphenyl)ethoxy]phenyl]-1H-imidazole
SMILESc1ccc(-c2cnc[nH]2)c(OCCc2ccc(-c3ccsc3)cc2)c1
InChIInChI=1S/C21H18N2OS/c1-2-4-21(19(3-1)20-13-22-15-23-20)24-11-9-16-5-7-17(8-6-16)18-10-12-25-14-18/h1-8,10,12-15H,9,11H2,(H,22,23)
InChIKeyWMKCLILUOWDCQH-UHFFFAOYSA-N
XLogP5.43
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.46
LogP ≤ 55.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[2-[2-(4-thiophen-3-ylphenyl)ethoxy]phenyl]-1H-imidazole?
The IUPAC name of 5-[2-[2-(4-thiophen-3-ylphenyl)ethoxy]phenyl]-1H-imidazole (CID 52933449) is 5-[2-[2-(4-thiophen-3-ylphenyl)ethoxy]phenyl]-1H-imidazole.
What is the SMILES notation for 5-[2-[2-(4-thiophen-3-ylphenyl)ethoxy]phenyl]-1H-imidazole?
The canonical SMILES for 5-[2-[2-(4-thiophen-3-ylphenyl)ethoxy]phenyl]-1H-imidazole is c1ccc(-c2cnc[nH]2)c(OCCc2ccc(-c3ccsc3)cc2)c1.
What is the InChIKey of 5-[2-[2-(4-thiophen-3-ylphenyl)ethoxy]phenyl]-1H-imidazole?
The InChIKey is WMKCLILUOWDCQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2OS/c1-2-4-21(19(3-1)20-13-22-15-23-20)24-11-9-16-5-7-17(8-6-16)18-10-12-25-14-18/h1-8,10,12-15H,9,11H2,(H,22,23).
What are the key properties of 5-[2-[2-(4-thiophen-3-ylphenyl)ethoxy]phenyl]-1H-imidazole?
5-[2-[2-(4-thiophen-3-ylphenyl)ethoxy]phenyl]-1H-imidazole has a molecular weight of 346.46 g/mol, XLogP of 5.43, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[2-(4-thiophen-3-ylphenyl)ethoxy]phenyl]-1H-imidazole is sourced from PubChem (CID 52933449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).