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

C12H8F6N2O — CID 125475269

IUPAC[1-[2,4-bis(trifluoromethyl)phenyl]imidazol-4-yl]methanol
SMILESOCc1cn(-c2ccc(C(F)(F)F)cc2C(F)(F)F)cn1
InChIInChI=1S/C12H8F6N2O/c13-11(14,15)7-1-2-10(9(3-7)12(16,17)18)20-4-8(5-21)19-6-20/h1-4,6,21H,5H2
InChIKeyZVMUDBXSDOFRJC-UHFFFAOYSA-N
MW310.20 g/mol
LogP3.40
Rot. Bonds2

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

[1-[2,4-bis(trifluoromethyl)phenyl]imidazol-4-yl]methanol (PubChem CID 125475269) has the molecular formula C12H8F6N2O and a molecular weight of 310.20 g/mol. Its IUPAC name is [1-[2,4-bis(trifluoromethyl)phenyl]imidazol-4-yl]methanol.

Molecular Properties

Compound Name[1-[2,4-bis(trifluoromethyl)phenyl]imidazol-4-yl]methanol
PubChem CID125475269
Molecular FormulaC12H8F6N2O
Molecular Weight310.20 g/mol
Exact Mass310.05
IUPAC Name[1-[2,4-bis(trifluoromethyl)phenyl]imidazol-4-yl]methanol
SMILESOCc1cn(-c2ccc(C(F)(F)F)cc2C(F)(F)F)cn1
InChIInChI=1S/C12H8F6N2O/c13-11(14,15)7-1-2-10(9(3-7)12(16,17)18)20-4-8(5-21)19-6-20/h1-4,6,21H,5H2
InChIKeyZVMUDBXSDOFRJC-UHFFFAOYSA-N
XLogP3.40
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.20
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-[2,4-bis(trifluoromethyl)phenyl]imidazol-4-yl]methanol?
The IUPAC name of [1-[2,4-bis(trifluoromethyl)phenyl]imidazol-4-yl]methanol (CID 125475269) is [1-[2,4-bis(trifluoromethyl)phenyl]imidazol-4-yl]methanol.
What is the SMILES notation for [1-[2,4-bis(trifluoromethyl)phenyl]imidazol-4-yl]methanol?
The canonical SMILES for [1-[2,4-bis(trifluoromethyl)phenyl]imidazol-4-yl]methanol is OCc1cn(-c2ccc(C(F)(F)F)cc2C(F)(F)F)cn1.
What is the InChIKey of [1-[2,4-bis(trifluoromethyl)phenyl]imidazol-4-yl]methanol?
The InChIKey is ZVMUDBXSDOFRJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8F6N2O/c13-11(14,15)7-1-2-10(9(3-7)12(16,17)18)20-4-8(5-21)19-6-20/h1-4,6,21H,5H2.
What are the key properties of [1-[2,4-bis(trifluoromethyl)phenyl]imidazol-4-yl]methanol?
[1-[2,4-bis(trifluoromethyl)phenyl]imidazol-4-yl]methanol has a molecular weight of 310.20 g/mol, XLogP of 3.40, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2,4-bis(trifluoromethyl)phenyl]imidazol-4-yl]methanol is sourced from PubChem (CID 125475269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).