methyl 4-[2-(4-fluorophenyl)-3-imidazol-1-ylpropyl]-2-hydroxybenzoate

C20H19FN2O3 — CID 59117376

IUPACmethyl 4-[2-(4-fluorophenyl)-3-imidazol-1-ylpropyl]-2-hydroxybenzoate
SMILESCOC(=O)c1ccc(CC(Cn2ccnc2)c2ccc(F)cc2)cc1O
InChIInChI=1S/C20H19FN2O3/c1-26-20(25)18-7-2-14(11-19(18)24)10-16(12-23-9-8-22-13-23)15-3-5-17(21)6-4-15/h2-9,11,13,16,24H,10,12H2,1H3
InChIKeyWOJBGNVIYOCCJM-UHFFFAOYSA-N
MW354.38 g/mol
LogP3.54
Rot. Bonds6

About methyl 4-[2-(4-fluorophenyl)-3-imidazol-1-ylpropyl]-2-hydroxybenzoate

methyl 4-[2-(4-fluorophenyl)-3-imidazol-1-ylpropyl]-2-hydroxybenzoate (PubChem CID 59117376) has the molecular formula C20H19FN2O3 and a molecular weight of 354.38 g/mol. Its IUPAC name is methyl 4-[2-(4-fluorophenyl)-3-imidazol-1-ylpropyl]-2-hydroxybenzoate.

Molecular Properties

Compound Namemethyl 4-[2-(4-fluorophenyl)-3-imidazol-1-ylpropyl]-2-hydroxybenzoate
PubChem CID59117376
Molecular FormulaC20H19FN2O3
Molecular Weight354.38 g/mol
Exact Mass354.14
IUPAC Namemethyl 4-[2-(4-fluorophenyl)-3-imidazol-1-ylpropyl]-2-hydroxybenzoate
SMILESCOC(=O)c1ccc(CC(Cn2ccnc2)c2ccc(F)cc2)cc1O
InChIInChI=1S/C20H19FN2O3/c1-26-20(25)18-7-2-14(11-19(18)24)10-16(12-23-9-8-22-13-23)15-3-5-17(21)6-4-15/h2-9,11,13,16,24H,10,12H2,1H3
InChIKeyWOJBGNVIYOCCJM-UHFFFAOYSA-N
XLogP3.54
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.38
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 4-[2-(4-fluorophenyl)-3-imidazol-1-ylpropyl]-2-hydroxybenzoate?
The IUPAC name of methyl 4-[2-(4-fluorophenyl)-3-imidazol-1-ylpropyl]-2-hydroxybenzoate (CID 59117376) is methyl 4-[2-(4-fluorophenyl)-3-imidazol-1-ylpropyl]-2-hydroxybenzoate.
What is the SMILES notation for methyl 4-[2-(4-fluorophenyl)-3-imidazol-1-ylpropyl]-2-hydroxybenzoate?
The canonical SMILES for methyl 4-[2-(4-fluorophenyl)-3-imidazol-1-ylpropyl]-2-hydroxybenzoate is COC(=O)c1ccc(CC(Cn2ccnc2)c2ccc(F)cc2)cc1O.
What is the InChIKey of methyl 4-[2-(4-fluorophenyl)-3-imidazol-1-ylpropyl]-2-hydroxybenzoate?
The InChIKey is WOJBGNVIYOCCJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN2O3/c1-26-20(25)18-7-2-14(11-19(18)24)10-16(12-23-9-8-22-13-23)15-3-5-17(21)6-4-15/h2-9,11,13,16,24H,10,12H2,1H3.
What are the key properties of methyl 4-[2-(4-fluorophenyl)-3-imidazol-1-ylpropyl]-2-hydroxybenzoate?
methyl 4-[2-(4-fluorophenyl)-3-imidazol-1-ylpropyl]-2-hydroxybenzoate has a molecular weight of 354.38 g/mol, XLogP of 3.54, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[2-(4-fluorophenyl)-3-imidazol-1-ylpropyl]-2-hydroxybenzoate is sourced from PubChem (CID 59117376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).