5-(3-chlorothiophen-2-yl)-2-[4-(trifluoromethoxy)phenyl]-1H-imidazole

C14H8ClF3N2OS — CID 22147908

IUPAC5-(3-chlorothiophen-2-yl)-2-[4-(trifluoromethoxy)phenyl]-1H-imidazole
SMILESFC(F)(F)Oc1ccc(-c2ncc(-c3sccc3Cl)[nH]2)cc1
InChIInChI=1S/C14H8ClF3N2OS/c15-10-5-6-22-12(10)11-7-19-13(20-11)8-1-3-9(4-2-8)21-14(16,17)18/h1-7H,(H,19,20)
InChIKeyWYKFYUILOGHKHK-UHFFFAOYSA-N
MW344.75 g/mol
LogP5.36
Rot. Bonds3

About 5-(3-chlorothiophen-2-yl)-2-[4-(trifluoromethoxy)phenyl]-1H-imidazole

5-(3-chlorothiophen-2-yl)-2-[4-(trifluoromethoxy)phenyl]-1H-imidazole (PubChem CID 22147908) has the molecular formula C14H8ClF3N2OS and a molecular weight of 344.75 g/mol. Its IUPAC name is 5-(3-chlorothiophen-2-yl)-2-[4-(trifluoromethoxy)phenyl]-1H-imidazole.

Molecular Properties

Compound Name5-(3-chlorothiophen-2-yl)-2-[4-(trifluoromethoxy)phenyl]-1H-imidazole
PubChem CID22147908
Molecular FormulaC14H8ClF3N2OS
Molecular Weight344.75 g/mol
Exact Mass344.00
IUPAC Name5-(3-chlorothiophen-2-yl)-2-[4-(trifluoromethoxy)phenyl]-1H-imidazole
SMILESFC(F)(F)Oc1ccc(-c2ncc(-c3sccc3Cl)[nH]2)cc1
InChIInChI=1S/C14H8ClF3N2OS/c15-10-5-6-22-12(10)11-7-19-13(20-11)8-1-3-9(4-2-8)21-14(16,17)18/h1-7H,(H,19,20)
InChIKeyWYKFYUILOGHKHK-UHFFFAOYSA-N
XLogP5.36
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.75
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-(3-chlorothiophen-2-yl)-2-[4-(trifluoromethoxy)phenyl]-1H-imidazole 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 5-(3-chlorothiophen-2-yl)-2-[4-(trifluoromethoxy)phenyl]-1H-imidazole?
The IUPAC name of 5-(3-chlorothiophen-2-yl)-2-[4-(trifluoromethoxy)phenyl]-1H-imidazole (CID 22147908) is 5-(3-chlorothiophen-2-yl)-2-[4-(trifluoromethoxy)phenyl]-1H-imidazole.
What is the SMILES notation for 5-(3-chlorothiophen-2-yl)-2-[4-(trifluoromethoxy)phenyl]-1H-imidazole?
The canonical SMILES for 5-(3-chlorothiophen-2-yl)-2-[4-(trifluoromethoxy)phenyl]-1H-imidazole is FC(F)(F)Oc1ccc(-c2ncc(-c3sccc3Cl)[nH]2)cc1.
What is the InChIKey of 5-(3-chlorothiophen-2-yl)-2-[4-(trifluoromethoxy)phenyl]-1H-imidazole?
The InChIKey is WYKFYUILOGHKHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8ClF3N2OS/c15-10-5-6-22-12(10)11-7-19-13(20-11)8-1-3-9(4-2-8)21-14(16,17)18/h1-7H,(H,19,20).
What are the key properties of 5-(3-chlorothiophen-2-yl)-2-[4-(trifluoromethoxy)phenyl]-1H-imidazole?
5-(3-chlorothiophen-2-yl)-2-[4-(trifluoromethoxy)phenyl]-1H-imidazole has a molecular weight of 344.75 g/mol, XLogP of 5.36, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chlorothiophen-2-yl)-2-[4-(trifluoromethoxy)phenyl]-1H-imidazole is sourced from PubChem (CID 22147908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).