(3,4-difluorophenyl)-[5-(4-fluorophenyl)-1H-imidazol-2-yl]methanol

C16H11F3N2O — CID 46948211

IUPAC(3,4-difluorophenyl)-[5-(4-fluorophenyl)-1H-imidazol-2-yl]methanol
SMILESOC(c1ccc(F)c(F)c1)c1ncc(-c2ccc(F)cc2)[nH]1
InChIInChI=1S/C16H11F3N2O/c17-11-4-1-9(2-5-11)14-8-20-16(21-14)15(22)10-3-6-12(18)13(19)7-10/h1-8,15,22H,(H,20,21)
InChIKeyBBGISRMCIYPEMV-UHFFFAOYSA-N
MW304.27 g/mol
LogP3.58
Rot. Bonds3

About (3,4-difluorophenyl)-[5-(4-fluorophenyl)-1H-imidazol-2-yl]methanol

(3,4-difluorophenyl)-[5-(4-fluorophenyl)-1H-imidazol-2-yl]methanol (PubChem CID 46948211) has the molecular formula C16H11F3N2O and a molecular weight of 304.27 g/mol. Its IUPAC name is (3,4-difluorophenyl)-[5-(4-fluorophenyl)-1H-imidazol-2-yl]methanol.

Molecular Properties

Compound Name(3,4-difluorophenyl)-[5-(4-fluorophenyl)-1H-imidazol-2-yl]methanol
PubChem CID46948211
Molecular FormulaC16H11F3N2O
Molecular Weight304.27 g/mol
Exact Mass304.08
IUPAC Name(3,4-difluorophenyl)-[5-(4-fluorophenyl)-1H-imidazol-2-yl]methanol
SMILESOC(c1ccc(F)c(F)c1)c1ncc(-c2ccc(F)cc2)[nH]1
InChIInChI=1S/C16H11F3N2O/c17-11-4-1-9(2-5-11)14-8-20-16(21-14)15(22)10-3-6-12(18)13(19)7-10/h1-8,15,22H,(H,20,21)
InChIKeyBBGISRMCIYPEMV-UHFFFAOYSA-N
XLogP3.58
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.27
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3,4-difluorophenyl)-[5-(4-fluorophenyl)-1H-imidazol-2-yl]methanol?
The IUPAC name of (3,4-difluorophenyl)-[5-(4-fluorophenyl)-1H-imidazol-2-yl]methanol (CID 46948211) is (3,4-difluorophenyl)-[5-(4-fluorophenyl)-1H-imidazol-2-yl]methanol.
What is the SMILES notation for (3,4-difluorophenyl)-[5-(4-fluorophenyl)-1H-imidazol-2-yl]methanol?
The canonical SMILES for (3,4-difluorophenyl)-[5-(4-fluorophenyl)-1H-imidazol-2-yl]methanol is OC(c1ccc(F)c(F)c1)c1ncc(-c2ccc(F)cc2)[nH]1.
What is the InChIKey of (3,4-difluorophenyl)-[5-(4-fluorophenyl)-1H-imidazol-2-yl]methanol?
The InChIKey is BBGISRMCIYPEMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F3N2O/c17-11-4-1-9(2-5-11)14-8-20-16(21-14)15(22)10-3-6-12(18)13(19)7-10/h1-8,15,22H,(H,20,21).
What are the key properties of (3,4-difluorophenyl)-[5-(4-fluorophenyl)-1H-imidazol-2-yl]methanol?
(3,4-difluorophenyl)-[5-(4-fluorophenyl)-1H-imidazol-2-yl]methanol has a molecular weight of 304.27 g/mol, XLogP of 3.58, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-difluorophenyl)-[5-(4-fluorophenyl)-1H-imidazol-2-yl]methanol is sourced from PubChem (CID 46948211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).