[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl] benzoate

C21H14FN3O2 — CID 67599853

IUPAC[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl] benzoate
SMILESO=C(Oc1nc(-c2ccc(F)cc2)c(-c2ccncc2)[nH]1)c1ccccc1
InChIInChI=1S/C21H14FN3O2/c22-17-8-6-14(7-9-17)18-19(15-10-12-23-13-11-15)25-21(24-18)27-20(26)16-4-2-1-3-5-16/h1-13H,(H,24,25)
InChIKeyGEJPPSPKNQLYDN-UHFFFAOYSA-N
MW359.36 g/mol
LogP4.50
Rot. Bonds4

About [4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl] benzoate

[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl] benzoate (PubChem CID 67599853) has the molecular formula C21H14FN3O2 and a molecular weight of 359.36 g/mol. Its IUPAC name is [4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl] benzoate.

Molecular Properties

Compound Name[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl] benzoate
PubChem CID67599853
Molecular FormulaC21H14FN3O2
Molecular Weight359.36 g/mol
Exact Mass359.11
IUPAC Name[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl] benzoate
SMILESO=C(Oc1nc(-c2ccc(F)cc2)c(-c2ccncc2)[nH]1)c1ccccc1
InChIInChI=1S/C21H14FN3O2/c22-17-8-6-14(7-9-17)18-19(15-10-12-23-13-11-15)25-21(24-18)27-20(26)16-4-2-1-3-5-16/h1-13H,(H,24,25)
InChIKeyGEJPPSPKNQLYDN-UHFFFAOYSA-N
XLogP4.50
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.36
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl] benzoate?
The IUPAC name of [4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl] benzoate (CID 67599853) is [4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl] benzoate.
What is the SMILES notation for [4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl] benzoate?
The canonical SMILES for [4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl] benzoate is O=C(Oc1nc(-c2ccc(F)cc2)c(-c2ccncc2)[nH]1)c1ccccc1.
What is the InChIKey of [4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl] benzoate?
The InChIKey is GEJPPSPKNQLYDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14FN3O2/c22-17-8-6-14(7-9-17)18-19(15-10-12-23-13-11-15)25-21(24-18)27-20(26)16-4-2-1-3-5-16/h1-13H,(H,24,25).
What are the key properties of [4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl] benzoate?
[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl] benzoate has a molecular weight of 359.36 g/mol, XLogP of 4.50, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl] benzoate is sourced from PubChem (CID 67599853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).