[3-[[2,5-bis(trifluoromethyl)phenyl]methyl]-2H-imidazol-1-yl]methanol

C13H12F6N2O — CID 157403943

IUPAC[3-[[2,5-bis(trifluoromethyl)phenyl]methyl]-2H-imidazol-1-yl]methanol
SMILESOCN1C=CN(Cc2cc(C(F)(F)F)ccc2C(F)(F)F)C1
InChIInChI=1S/C13H12F6N2O/c14-12(15,16)10-1-2-11(13(17,18)19)9(5-10)6-20-3-4-21(7-20)8-22/h1-5,22H,6-8H2
InChIKeyBNMMOAYAFZDMNJ-UHFFFAOYSA-N
MW326.24 g/mol
LogP3.22
Rot. Bonds3

About [3-[[2,5-bis(trifluoromethyl)phenyl]methyl]-2H-imidazol-1-yl]methanol

[3-[[2,5-bis(trifluoromethyl)phenyl]methyl]-2H-imidazol-1-yl]methanol (PubChem CID 157403943) has the molecular formula C13H12F6N2O and a molecular weight of 326.24 g/mol. Its IUPAC name is [3-[[2,5-bis(trifluoromethyl)phenyl]methyl]-2H-imidazol-1-yl]methanol.

Molecular Properties

Compound Name[3-[[2,5-bis(trifluoromethyl)phenyl]methyl]-2H-imidazol-1-yl]methanol
PubChem CID157403943
Molecular FormulaC13H12F6N2O
Molecular Weight326.24 g/mol
Exact Mass326.09
IUPAC Name[3-[[2,5-bis(trifluoromethyl)phenyl]methyl]-2H-imidazol-1-yl]methanol
SMILESOCN1C=CN(Cc2cc(C(F)(F)F)ccc2C(F)(F)F)C1
InChIInChI=1S/C13H12F6N2O/c14-12(15,16)10-1-2-11(13(17,18)19)9(5-10)6-20-3-4-21(7-20)8-22/h1-5,22H,6-8H2
InChIKeyBNMMOAYAFZDMNJ-UHFFFAOYSA-N
XLogP3.22
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.24
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-[[2,5-bis(trifluoromethyl)phenyl]methyl]-2H-imidazol-1-yl]methanol?
The IUPAC name of [3-[[2,5-bis(trifluoromethyl)phenyl]methyl]-2H-imidazol-1-yl]methanol (CID 157403943) is [3-[[2,5-bis(trifluoromethyl)phenyl]methyl]-2H-imidazol-1-yl]methanol.
What is the SMILES notation for [3-[[2,5-bis(trifluoromethyl)phenyl]methyl]-2H-imidazol-1-yl]methanol?
The canonical SMILES for [3-[[2,5-bis(trifluoromethyl)phenyl]methyl]-2H-imidazol-1-yl]methanol is OCN1C=CN(Cc2cc(C(F)(F)F)ccc2C(F)(F)F)C1.
What is the InChIKey of [3-[[2,5-bis(trifluoromethyl)phenyl]methyl]-2H-imidazol-1-yl]methanol?
The InChIKey is BNMMOAYAFZDMNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F6N2O/c14-12(15,16)10-1-2-11(13(17,18)19)9(5-10)6-20-3-4-21(7-20)8-22/h1-5,22H,6-8H2.
What are the key properties of [3-[[2,5-bis(trifluoromethyl)phenyl]methyl]-2H-imidazol-1-yl]methanol?
[3-[[2,5-bis(trifluoromethyl)phenyl]methyl]-2H-imidazol-1-yl]methanol has a molecular weight of 326.24 g/mol, XLogP of 3.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[2,5-bis(trifluoromethyl)phenyl]methyl]-2H-imidazol-1-yl]methanol is sourced from PubChem (CID 157403943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).