2-[2-(5-fluoro-2-pyrazol-1-ylphenyl)imidazol-1-yl]-1-phenylethanol

C20H17FN4O — CID 70722138

IUPAC2-[2-(5-fluoro-2-pyrazol-1-ylphenyl)imidazol-1-yl]-1-phenylethanol
SMILESOC(Cn1ccnc1-c1cc(F)ccc1-n1cccn1)c1ccccc1
InChIInChI=1S/C20H17FN4O/c21-16-7-8-18(25-11-4-9-23-25)17(13-16)20-22-10-12-24(20)14-19(26)15-5-2-1-3-6-15/h1-13,19,26H,14H2
InChIKeyOLMZOBUSNKCYJU-UHFFFAOYSA-N
MW348.38 g/mol
LogP3.61
Rot. Bonds5

About 2-[2-(5-fluoro-2-pyrazol-1-ylphenyl)imidazol-1-yl]-1-phenylethanol

2-[2-(5-fluoro-2-pyrazol-1-ylphenyl)imidazol-1-yl]-1-phenylethanol (PubChem CID 70722138) has the molecular formula C20H17FN4O and a molecular weight of 348.38 g/mol. Its IUPAC name is 2-[2-(5-fluoro-2-pyrazol-1-ylphenyl)imidazol-1-yl]-1-phenylethanol.

Molecular Properties

Compound Name2-[2-(5-fluoro-2-pyrazol-1-ylphenyl)imidazol-1-yl]-1-phenylethanol
PubChem CID70722138
Molecular FormulaC20H17FN4O
Molecular Weight348.38 g/mol
Exact Mass348.14
IUPAC Name2-[2-(5-fluoro-2-pyrazol-1-ylphenyl)imidazol-1-yl]-1-phenylethanol
SMILESOC(Cn1ccnc1-c1cc(F)ccc1-n1cccn1)c1ccccc1
InChIInChI=1S/C20H17FN4O/c21-16-7-8-18(25-11-4-9-23-25)17(13-16)20-22-10-12-24(20)14-19(26)15-5-2-1-3-6-15/h1-13,19,26H,14H2
InChIKeyOLMZOBUSNKCYJU-UHFFFAOYSA-N
XLogP3.61
TPSA55.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.38
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(5-fluoro-2-pyrazol-1-ylphenyl)imidazol-1-yl]-1-phenylethanol?
The IUPAC name of 2-[2-(5-fluoro-2-pyrazol-1-ylphenyl)imidazol-1-yl]-1-phenylethanol (CID 70722138) is 2-[2-(5-fluoro-2-pyrazol-1-ylphenyl)imidazol-1-yl]-1-phenylethanol.
What is the SMILES notation for 2-[2-(5-fluoro-2-pyrazol-1-ylphenyl)imidazol-1-yl]-1-phenylethanol?
The canonical SMILES for 2-[2-(5-fluoro-2-pyrazol-1-ylphenyl)imidazol-1-yl]-1-phenylethanol is OC(Cn1ccnc1-c1cc(F)ccc1-n1cccn1)c1ccccc1.
What is the InChIKey of 2-[2-(5-fluoro-2-pyrazol-1-ylphenyl)imidazol-1-yl]-1-phenylethanol?
The InChIKey is OLMZOBUSNKCYJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN4O/c21-16-7-8-18(25-11-4-9-23-25)17(13-16)20-22-10-12-24(20)14-19(26)15-5-2-1-3-6-15/h1-13,19,26H,14H2.
What are the key properties of 2-[2-(5-fluoro-2-pyrazol-1-ylphenyl)imidazol-1-yl]-1-phenylethanol?
2-[2-(5-fluoro-2-pyrazol-1-ylphenyl)imidazol-1-yl]-1-phenylethanol has a molecular weight of 348.38 g/mol, XLogP of 3.61, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(5-fluoro-2-pyrazol-1-ylphenyl)imidazol-1-yl]-1-phenylethanol is sourced from PubChem (CID 70722138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).