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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Related Compounds

1-[2-(3,4-dimethoxyphenyl)ethylamino]-3-[4-(5-thiophen-2-yl-1H-imidazol-2-yl)phenoxy]propan-2-ol
CID 135079
4-(2-Methoxyphenyl)-2-(4(5)-methyl-5(4)-imidazolylmethyl)thiazole
CID 3035572
L 643717-01J10
CID 13157385
4-[4-(4-Fluoro-phenyl)-2-methylsulfanyl-1H-imidazol-5-yl]-2-(thiophen-2-ylmethoxy)-pyridine
CID 44568254
4-(2-ethoxyphenyl)-2-[(5-methyl-1H-imidazol-4-yl)methyl]-1,3-thiazole
CID 14742529
2-(1H-imidazol-5-ylmethyl)-4-(2-methoxyphenyl)-1,3-thiazole
CID 14742546
1-(tert-butylamino)-3-[4-(5-thiophen-2-yl-1H-imidazol-2-yl)phenoxy]propan-2-ol
CID 12521601
1-[1-(3,4-dimethoxyphenyl)propan-2-ylamino]-3-[4-(5-thiophen-2-yl-1H-imidazol-2-yl)phenoxy]propan-2-ol
CID 13157380
1-[[1-(3,4-dimethoxyphenyl)-2-methylpropan-2-yl]amino]-3-[4-(5-thiophen-2-yl-1H-imidazol-2-yl)phenoxy]propan-2-ol
CID 13157382
2-[p-(3-Cyclopropylamino-2-hydroxypropoxy)phenyl]-4-(2-thienyl)imidazole
CID 13157402
1-[(Propan-2-yl)amino]-3-{4-[4-(thiophen-2-yl)-1H-imidazol-2-yl]phenoxy}propan-2-ol
CID 13157406
1-(2-phenylethylamino)-3-[4-(5-thiophen-2-yl-1H-imidazol-2-yl)phenoxy]propan-2-ol
CID 13157407

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).