[1-[3-chloro-4-(trifluoromethoxy)phenyl]imidazol-4-yl]methanol

C11H8ClF3N2O2 — CID 23445138

IUPAC[1-[3-chloro-4-(trifluoromethoxy)phenyl]imidazol-4-yl]methanol
SMILESOCc1cn(-c2ccc(OC(F)(F)F)c(Cl)c2)cn1
InChIInChI=1S/C11H8ClF3N2O2/c12-9-3-8(17-4-7(5-18)16-6-17)1-2-10(9)19-11(13,14)15/h1-4,6,18H,5H2
InChIKeyLTBSJLVWNWNKEO-UHFFFAOYSA-N
MW292.64 g/mol
LogP2.92
Rot. Bonds3

About [1-[3-chloro-4-(trifluoromethoxy)phenyl]imidazol-4-yl]methanol

[1-[3-chloro-4-(trifluoromethoxy)phenyl]imidazol-4-yl]methanol (PubChem CID 23445138) has the molecular formula C11H8ClF3N2O2 and a molecular weight of 292.64 g/mol. Its IUPAC name is [1-[3-chloro-4-(trifluoromethoxy)phenyl]imidazol-4-yl]methanol.

Molecular Properties

Compound Name[1-[3-chloro-4-(trifluoromethoxy)phenyl]imidazol-4-yl]methanol
PubChem CID23445138
Molecular FormulaC11H8ClF3N2O2
Molecular Weight292.64 g/mol
Exact Mass292.02
IUPAC Name[1-[3-chloro-4-(trifluoromethoxy)phenyl]imidazol-4-yl]methanol
SMILESOCc1cn(-c2ccc(OC(F)(F)F)c(Cl)c2)cn1
InChIInChI=1S/C11H8ClF3N2O2/c12-9-3-8(17-4-7(5-18)16-6-17)1-2-10(9)19-11(13,14)15/h1-4,6,18H,5H2
InChIKeyLTBSJLVWNWNKEO-UHFFFAOYSA-N
XLogP2.92
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.64
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-[3-chloro-4-(trifluoromethoxy)phenyl]imidazol-4-yl]methanol?
The IUPAC name of [1-[3-chloro-4-(trifluoromethoxy)phenyl]imidazol-4-yl]methanol (CID 23445138) is [1-[3-chloro-4-(trifluoromethoxy)phenyl]imidazol-4-yl]methanol.
What is the SMILES notation for [1-[3-chloro-4-(trifluoromethoxy)phenyl]imidazol-4-yl]methanol?
The canonical SMILES for [1-[3-chloro-4-(trifluoromethoxy)phenyl]imidazol-4-yl]methanol is OCc1cn(-c2ccc(OC(F)(F)F)c(Cl)c2)cn1.
What is the InChIKey of [1-[3-chloro-4-(trifluoromethoxy)phenyl]imidazol-4-yl]methanol?
The InChIKey is LTBSJLVWNWNKEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClF3N2O2/c12-9-3-8(17-4-7(5-18)16-6-17)1-2-10(9)19-11(13,14)15/h1-4,6,18H,5H2.
What are the key properties of [1-[3-chloro-4-(trifluoromethoxy)phenyl]imidazol-4-yl]methanol?
[1-[3-chloro-4-(trifluoromethoxy)phenyl]imidazol-4-yl]methanol has a molecular weight of 292.64 g/mol, XLogP of 2.92, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[3-chloro-4-(trifluoromethoxy)phenyl]imidazol-4-yl]methanol is sourced from PubChem (CID 23445138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).