4-thiophen-3-yl-1-[3-[3-(trifluoromethyl)phenyl]propyl]imidazole

C17H15F3N2S — CID 18755591

IUPAC4-thiophen-3-yl-1-[3-[3-(trifluoromethyl)phenyl]propyl]imidazole
SMILESFC(F)(F)c1cccc(CCCn2cnc(-c3ccsc3)c2)c1
InChIInChI=1S/C17H15F3N2S/c18-17(19,20)15-5-1-3-13(9-15)4-2-7-22-10-16(21-12-22)14-6-8-23-11-14/h1,3,5-6,8-12H,2,4,7H2
InChIKeyOCRSEOOFCPNKMP-UHFFFAOYSA-N
MW336.38 g/mol
LogP5.26
Rot. Bonds5

About 4-thiophen-3-yl-1-[3-[3-(trifluoromethyl)phenyl]propyl]imidazole

4-thiophen-3-yl-1-[3-[3-(trifluoromethyl)phenyl]propyl]imidazole (PubChem CID 18755591) has the molecular formula C17H15F3N2S and a molecular weight of 336.38 g/mol. Its IUPAC name is 4-thiophen-3-yl-1-[3-[3-(trifluoromethyl)phenyl]propyl]imidazole.

Molecular Properties

Compound Name4-thiophen-3-yl-1-[3-[3-(trifluoromethyl)phenyl]propyl]imidazole
PubChem CID18755591
Molecular FormulaC17H15F3N2S
Molecular Weight336.38 g/mol
Exact Mass336.09
IUPAC Name4-thiophen-3-yl-1-[3-[3-(trifluoromethyl)phenyl]propyl]imidazole
SMILESFC(F)(F)c1cccc(CCCn2cnc(-c3ccsc3)c2)c1
InChIInChI=1S/C17H15F3N2S/c18-17(19,20)15-5-1-3-13(9-15)4-2-7-22-10-16(21-12-22)14-6-8-23-11-14/h1,3,5-6,8-12H,2,4,7H2
InChIKeyOCRSEOOFCPNKMP-UHFFFAOYSA-N
XLogP5.26
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.38
LogP ≤ 55.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-thiophen-3-yl-1-[3-[3-(trifluoromethyl)phenyl]propyl]imidazole?
The IUPAC name of 4-thiophen-3-yl-1-[3-[3-(trifluoromethyl)phenyl]propyl]imidazole (CID 18755591) is 4-thiophen-3-yl-1-[3-[3-(trifluoromethyl)phenyl]propyl]imidazole.
What is the SMILES notation for 4-thiophen-3-yl-1-[3-[3-(trifluoromethyl)phenyl]propyl]imidazole?
The canonical SMILES for 4-thiophen-3-yl-1-[3-[3-(trifluoromethyl)phenyl]propyl]imidazole is FC(F)(F)c1cccc(CCCn2cnc(-c3ccsc3)c2)c1.
What is the InChIKey of 4-thiophen-3-yl-1-[3-[3-(trifluoromethyl)phenyl]propyl]imidazole?
The InChIKey is OCRSEOOFCPNKMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3N2S/c18-17(19,20)15-5-1-3-13(9-15)4-2-7-22-10-16(21-12-22)14-6-8-23-11-14/h1,3,5-6,8-12H,2,4,7H2.
What are the key properties of 4-thiophen-3-yl-1-[3-[3-(trifluoromethyl)phenyl]propyl]imidazole?
4-thiophen-3-yl-1-[3-[3-(trifluoromethyl)phenyl]propyl]imidazole has a molecular weight of 336.38 g/mol, XLogP of 5.26, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-thiophen-3-yl-1-[3-[3-(trifluoromethyl)phenyl]propyl]imidazole is sourced from PubChem (CID 18755591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).