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

C22H16FN3O2 — CID 10133915

IUPACmethyl 4-[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]benzoate
SMILESCOC(=O)c1ccc(-c2nc(-c3ccc(F)cc3)c(-c3ccncc3)[nH]2)cc1
InChIInChI=1S/C22H16FN3O2/c1-28-22(27)17-4-2-16(3-5-17)21-25-19(14-6-8-18(23)9-7-14)20(26-21)15-10-12-24-13-11-15/h2-13H,1H3,(H,25,26)
InChIKeyGUZODAKISVJZOY-UHFFFAOYSA-N
MW373.39 g/mol
LogP4.73
Rot. Bonds4

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

methyl 4-[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]benzoate (PubChem CID 10133915) has the molecular formula C22H16FN3O2 and a molecular weight of 373.39 g/mol. Its IUPAC name is methyl 4-[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]benzoate.

Molecular Properties

Compound Namemethyl 4-[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]benzoate
PubChem CID10133915
Molecular FormulaC22H16FN3O2
Molecular Weight373.39 g/mol
Exact Mass373.12
IUPAC Namemethyl 4-[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]benzoate
SMILESCOC(=O)c1ccc(-c2nc(-c3ccc(F)cc3)c(-c3ccncc3)[nH]2)cc1
InChIInChI=1S/C22H16FN3O2/c1-28-22(27)17-4-2-16(3-5-17)21-25-19(14-6-8-18(23)9-7-14)20(26-21)15-10-12-24-13-11-15/h2-13H,1H3,(H,25,26)
InChIKeyGUZODAKISVJZOY-UHFFFAOYSA-N
XLogP4.73
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.39
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 4-[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]benzoate?
The IUPAC name of methyl 4-[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]benzoate (CID 10133915) is methyl 4-[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]benzoate.
What is the SMILES notation for methyl 4-[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]benzoate?
The canonical SMILES for methyl 4-[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]benzoate is COC(=O)c1ccc(-c2nc(-c3ccc(F)cc3)c(-c3ccncc3)[nH]2)cc1.
What is the InChIKey of methyl 4-[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]benzoate?
The InChIKey is GUZODAKISVJZOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16FN3O2/c1-28-22(27)17-4-2-16(3-5-17)21-25-19(14-6-8-18(23)9-7-14)20(26-21)15-10-12-24-13-11-15/h2-13H,1H3,(H,25,26).
What are the key properties of methyl 4-[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]benzoate?
methyl 4-[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]benzoate has a molecular weight of 373.39 g/mol, XLogP of 4.73, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]benzoate is sourced from PubChem (CID 10133915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).