2-[[2-(4-fluorophenyl)imidazol-1-yl]methyl]benzoic acid

C17H13FN2O2 — CID 82560539

IUPAC2-[[2-(4-fluorophenyl)imidazol-1-yl]methyl]benzoic acid
SMILESO=C(O)c1ccccc1Cn1ccnc1-c1ccc(F)cc1
InChIInChI=1S/C17H13FN2O2/c18-14-7-5-12(6-8-14)16-19-9-10-20(16)11-13-3-1-2-4-15(13)17(21)22/h1-10H,11H2,(H,21,22)
InChIKeyUHKIBRFJUCZHNG-UHFFFAOYSA-N
MW296.30 g/mol
LogP3.44
Rot. Bonds4

About 2-[[2-(4-fluorophenyl)imidazol-1-yl]methyl]benzoic acid

2-[[2-(4-fluorophenyl)imidazol-1-yl]methyl]benzoic acid (PubChem CID 82560539) has the molecular formula C17H13FN2O2 and a molecular weight of 296.30 g/mol. Its IUPAC name is 2-[[2-(4-fluorophenyl)imidazol-1-yl]methyl]benzoic acid.

Molecular Properties

Compound Name2-[[2-(4-fluorophenyl)imidazol-1-yl]methyl]benzoic acid
PubChem CID82560539
Molecular FormulaC17H13FN2O2
Molecular Weight296.30 g/mol
Exact Mass296.10
IUPAC Name2-[[2-(4-fluorophenyl)imidazol-1-yl]methyl]benzoic acid
SMILESO=C(O)c1ccccc1Cn1ccnc1-c1ccc(F)cc1
InChIInChI=1S/C17H13FN2O2/c18-14-7-5-12(6-8-14)16-19-9-10-20(16)11-13-3-1-2-4-15(13)17(21)22/h1-10H,11H2,(H,21,22)
InChIKeyUHKIBRFJUCZHNG-UHFFFAOYSA-N
XLogP3.44
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.30
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-fluorophenyl)imidazol-1-yl]methyl]benzoic acid?
The IUPAC name of 2-[[2-(4-fluorophenyl)imidazol-1-yl]methyl]benzoic acid (CID 82560539) is 2-[[2-(4-fluorophenyl)imidazol-1-yl]methyl]benzoic acid.
What is the SMILES notation for 2-[[2-(4-fluorophenyl)imidazol-1-yl]methyl]benzoic acid?
The canonical SMILES for 2-[[2-(4-fluorophenyl)imidazol-1-yl]methyl]benzoic acid is O=C(O)c1ccccc1Cn1ccnc1-c1ccc(F)cc1.
What is the InChIKey of 2-[[2-(4-fluorophenyl)imidazol-1-yl]methyl]benzoic acid?
The InChIKey is UHKIBRFJUCZHNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FN2O2/c18-14-7-5-12(6-8-14)16-19-9-10-20(16)11-13-3-1-2-4-15(13)17(21)22/h1-10H,11H2,(H,21,22).
What are the key properties of 2-[[2-(4-fluorophenyl)imidazol-1-yl]methyl]benzoic acid?
2-[[2-(4-fluorophenyl)imidazol-1-yl]methyl]benzoic acid has a molecular weight of 296.30 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-fluorophenyl)imidazol-1-yl]methyl]benzoic acid is sourced from PubChem (CID 82560539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).