1-(4-fluorophenyl)-2-imidazol-1-yl-1-(3-pyridin-4-ylphenyl)ethanol

C22H18FN3O — CID 14988714

IUPAC1-(4-fluorophenyl)-2-imidazol-1-yl-1-(3-pyridin-4-ylphenyl)ethanol
SMILESOC(Cn1ccnc1)(c1ccc(F)cc1)c1cccc(-c2ccncc2)c1
InChIInChI=1S/C22H18FN3O/c23-21-6-4-19(5-7-21)22(27,15-26-13-12-25-16-26)20-3-1-2-18(14-20)17-8-10-24-11-9-17/h1-14,16,27H,15H2
InChIKeyNUNXWFKSFWEVCT-UHFFFAOYSA-N
MW359.40 g/mol
LogP4.02
Rot. Bonds5

About 1-(4-fluorophenyl)-2-imidazol-1-yl-1-(3-pyridin-4-ylphenyl)ethanol

1-(4-fluorophenyl)-2-imidazol-1-yl-1-(3-pyridin-4-ylphenyl)ethanol (PubChem CID 14988714) has the molecular formula C22H18FN3O and a molecular weight of 359.40 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-2-imidazol-1-yl-1-(3-pyridin-4-ylphenyl)ethanol.

Molecular Properties

Compound Name1-(4-fluorophenyl)-2-imidazol-1-yl-1-(3-pyridin-4-ylphenyl)ethanol
PubChem CID14988714
Molecular FormulaC22H18FN3O
Molecular Weight359.40 g/mol
Exact Mass359.14
IUPAC Name1-(4-fluorophenyl)-2-imidazol-1-yl-1-(3-pyridin-4-ylphenyl)ethanol
SMILESOC(Cn1ccnc1)(c1ccc(F)cc1)c1cccc(-c2ccncc2)c1
InChIInChI=1S/C22H18FN3O/c23-21-6-4-19(5-7-21)22(27,15-26-13-12-25-16-26)20-3-1-2-18(14-20)17-8-10-24-11-9-17/h1-14,16,27H,15H2
InChIKeyNUNXWFKSFWEVCT-UHFFFAOYSA-N
XLogP4.02
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.40
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-2-imidazol-1-yl-1-(3-pyridin-4-ylphenyl)ethanol?
The IUPAC name of 1-(4-fluorophenyl)-2-imidazol-1-yl-1-(3-pyridin-4-ylphenyl)ethanol (CID 14988714) is 1-(4-fluorophenyl)-2-imidazol-1-yl-1-(3-pyridin-4-ylphenyl)ethanol.
What is the SMILES notation for 1-(4-fluorophenyl)-2-imidazol-1-yl-1-(3-pyridin-4-ylphenyl)ethanol?
The canonical SMILES for 1-(4-fluorophenyl)-2-imidazol-1-yl-1-(3-pyridin-4-ylphenyl)ethanol is OC(Cn1ccnc1)(c1ccc(F)cc1)c1cccc(-c2ccncc2)c1.
What is the InChIKey of 1-(4-fluorophenyl)-2-imidazol-1-yl-1-(3-pyridin-4-ylphenyl)ethanol?
The InChIKey is NUNXWFKSFWEVCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18FN3O/c23-21-6-4-19(5-7-21)22(27,15-26-13-12-25-16-26)20-3-1-2-18(14-20)17-8-10-24-11-9-17/h1-14,16,27H,15H2.
What are the key properties of 1-(4-fluorophenyl)-2-imidazol-1-yl-1-(3-pyridin-4-ylphenyl)ethanol?
1-(4-fluorophenyl)-2-imidazol-1-yl-1-(3-pyridin-4-ylphenyl)ethanol has a molecular weight of 359.40 g/mol, XLogP of 4.02, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-2-imidazol-1-yl-1-(3-pyridin-4-ylphenyl)ethanol is sourced from PubChem (CID 14988714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).