2-[1-[2-(3-fluorophenyl)ethyl]imidazol-2-yl]benzoic acid

C18H15FN2O2 — CID 56742639

IUPAC2-[1-[2-(3-fluorophenyl)ethyl]imidazol-2-yl]benzoic acid
SMILESO=C(O)c1ccccc1-c1nccn1CCc1cccc(F)c1
InChIInChI=1S/C18H15FN2O2/c19-14-5-3-4-13(12-14)8-10-21-11-9-20-17(21)15-6-1-2-7-16(15)18(22)23/h1-7,9,11-12H,8,10H2,(H,22,23)
InChIKeyVVLPOTYBDJPFTR-UHFFFAOYSA-N
MW310.33 g/mol
LogP3.63
Rot. Bonds5

About 2-[1-[2-(3-fluorophenyl)ethyl]imidazol-2-yl]benzoic acid

2-[1-[2-(3-fluorophenyl)ethyl]imidazol-2-yl]benzoic acid (PubChem CID 56742639) has the molecular formula C18H15FN2O2 and a molecular weight of 310.33 g/mol. Its IUPAC name is 2-[1-[2-(3-fluorophenyl)ethyl]imidazol-2-yl]benzoic acid.

Molecular Properties

Compound Name2-[1-[2-(3-fluorophenyl)ethyl]imidazol-2-yl]benzoic acid
PubChem CID56742639
Molecular FormulaC18H15FN2O2
Molecular Weight310.33 g/mol
Exact Mass310.11
IUPAC Name2-[1-[2-(3-fluorophenyl)ethyl]imidazol-2-yl]benzoic acid
SMILESO=C(O)c1ccccc1-c1nccn1CCc1cccc(F)c1
InChIInChI=1S/C18H15FN2O2/c19-14-5-3-4-13(12-14)8-10-21-11-9-20-17(21)15-6-1-2-7-16(15)18(22)23/h1-7,9,11-12H,8,10H2,(H,22,23)
InChIKeyVVLPOTYBDJPFTR-UHFFFAOYSA-N
XLogP3.63
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.33
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(3-fluorophenyl)ethyl]imidazol-2-yl]benzoic acid?
The IUPAC name of 2-[1-[2-(3-fluorophenyl)ethyl]imidazol-2-yl]benzoic acid (CID 56742639) is 2-[1-[2-(3-fluorophenyl)ethyl]imidazol-2-yl]benzoic acid.
What is the SMILES notation for 2-[1-[2-(3-fluorophenyl)ethyl]imidazol-2-yl]benzoic acid?
The canonical SMILES for 2-[1-[2-(3-fluorophenyl)ethyl]imidazol-2-yl]benzoic acid is O=C(O)c1ccccc1-c1nccn1CCc1cccc(F)c1.
What is the InChIKey of 2-[1-[2-(3-fluorophenyl)ethyl]imidazol-2-yl]benzoic acid?
The InChIKey is VVLPOTYBDJPFTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN2O2/c19-14-5-3-4-13(12-14)8-10-21-11-9-20-17(21)15-6-1-2-7-16(15)18(22)23/h1-7,9,11-12H,8,10H2,(H,22,23).
What are the key properties of 2-[1-[2-(3-fluorophenyl)ethyl]imidazol-2-yl]benzoic acid?
2-[1-[2-(3-fluorophenyl)ethyl]imidazol-2-yl]benzoic acid has a molecular weight of 310.33 g/mol, XLogP of 3.63, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(3-fluorophenyl)ethyl]imidazol-2-yl]benzoic acid is sourced from PubChem (CID 56742639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).