[4-[4-[2-[2-(trifluoromethyl)phenyl]imidazol-1-yl]phenyl]thiophen-2-yl]methanol

C21H15F3N2OS — CID 141164390

IUPAC[4-[4-[2-[2-(trifluoromethyl)phenyl]imidazol-1-yl]phenyl]thiophen-2-yl]methanol
SMILESOCc1cc(-c2ccc(-n3ccnc3-c3ccccc3C(F)(F)F)cc2)cs1
InChIInChI=1S/C21H15F3N2OS/c22-21(23,24)19-4-2-1-3-18(19)20-25-9-10-26(20)16-7-5-14(6-8-16)15-11-17(12-27)28-13-15/h1-11,13,27H,12H2
InChIKeyMIIDXLDAFAMEEJ-UHFFFAOYSA-N
MW400.43 g/mol
LogP5.78
Rot. Bonds4

About [4-[4-[2-[2-(trifluoromethyl)phenyl]imidazol-1-yl]phenyl]thiophen-2-yl]methanol

[4-[4-[2-[2-(trifluoromethyl)phenyl]imidazol-1-yl]phenyl]thiophen-2-yl]methanol (PubChem CID 141164390) has the molecular formula C21H15F3N2OS and a molecular weight of 400.43 g/mol. Its IUPAC name is [4-[4-[2-[2-(trifluoromethyl)phenyl]imidazol-1-yl]phenyl]thiophen-2-yl]methanol.

Molecular Properties

Compound Name[4-[4-[2-[2-(trifluoromethyl)phenyl]imidazol-1-yl]phenyl]thiophen-2-yl]methanol
PubChem CID141164390
Molecular FormulaC21H15F3N2OS
Molecular Weight400.43 g/mol
Exact Mass400.09
IUPAC Name[4-[4-[2-[2-(trifluoromethyl)phenyl]imidazol-1-yl]phenyl]thiophen-2-yl]methanol
SMILESOCc1cc(-c2ccc(-n3ccnc3-c3ccccc3C(F)(F)F)cc2)cs1
InChIInChI=1S/C21H15F3N2OS/c22-21(23,24)19-4-2-1-3-18(19)20-25-9-10-26(20)16-7-5-14(6-8-16)15-11-17(12-27)28-13-15/h1-11,13,27H,12H2
InChIKeyMIIDXLDAFAMEEJ-UHFFFAOYSA-N
XLogP5.78
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.43
LogP ≤ 55.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-[4-[2-[2-(trifluoromethyl)phenyl]imidazol-1-yl]phenyl]thiophen-2-yl]methanol?
The IUPAC name of [4-[4-[2-[2-(trifluoromethyl)phenyl]imidazol-1-yl]phenyl]thiophen-2-yl]methanol (CID 141164390) is [4-[4-[2-[2-(trifluoromethyl)phenyl]imidazol-1-yl]phenyl]thiophen-2-yl]methanol.
What is the SMILES notation for [4-[4-[2-[2-(trifluoromethyl)phenyl]imidazol-1-yl]phenyl]thiophen-2-yl]methanol?
The canonical SMILES for [4-[4-[2-[2-(trifluoromethyl)phenyl]imidazol-1-yl]phenyl]thiophen-2-yl]methanol is OCc1cc(-c2ccc(-n3ccnc3-c3ccccc3C(F)(F)F)cc2)cs1.
What is the InChIKey of [4-[4-[2-[2-(trifluoromethyl)phenyl]imidazol-1-yl]phenyl]thiophen-2-yl]methanol?
The InChIKey is MIIDXLDAFAMEEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15F3N2OS/c22-21(23,24)19-4-2-1-3-18(19)20-25-9-10-26(20)16-7-5-14(6-8-16)15-11-17(12-27)28-13-15/h1-11,13,27H,12H2.
What are the key properties of [4-[4-[2-[2-(trifluoromethyl)phenyl]imidazol-1-yl]phenyl]thiophen-2-yl]methanol?
[4-[4-[2-[2-(trifluoromethyl)phenyl]imidazol-1-yl]phenyl]thiophen-2-yl]methanol has a molecular weight of 400.43 g/mol, XLogP of 5.78, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-[2-[2-(trifluoromethyl)phenyl]imidazol-1-yl]phenyl]thiophen-2-yl]methanol is sourced from PubChem (CID 141164390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).