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

C17H13FN2O2 — CID 82560528

IUPAC4-[[2-(2-fluorophenyl)imidazol-1-yl]methyl]benzoic acid
SMILESO=C(O)c1ccc(Cn2ccnc2-c2ccccc2F)cc1
InChIInChI=1S/C17H13FN2O2/c18-15-4-2-1-3-14(15)16-19-9-10-20(16)11-12-5-7-13(8-6-12)17(21)22/h1-10H,11H2,(H,21,22)
InChIKeyQKLCZNHKIKIAIU-UHFFFAOYSA-N
MW296.30 g/mol
LogP3.44
Rot. Bonds4

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

4-[[2-(2-fluorophenyl)imidazol-1-yl]methyl]benzoic acid (PubChem CID 82560528) has the molecular formula C17H13FN2O2 and a molecular weight of 296.30 g/mol. Its IUPAC name is 4-[[2-(2-fluorophenyl)imidazol-1-yl]methyl]benzoic acid.

Molecular Properties

Compound Name4-[[2-(2-fluorophenyl)imidazol-1-yl]methyl]benzoic acid
PubChem CID82560528
Molecular FormulaC17H13FN2O2
Molecular Weight296.30 g/mol
Exact Mass296.10
IUPAC Name4-[[2-(2-fluorophenyl)imidazol-1-yl]methyl]benzoic acid
SMILESO=C(O)c1ccc(Cn2ccnc2-c2ccccc2F)cc1
InChIInChI=1S/C17H13FN2O2/c18-15-4-2-1-3-14(15)16-19-9-10-20(16)11-12-5-7-13(8-6-12)17(21)22/h1-10H,11H2,(H,21,22)
InChIKeyQKLCZNHKIKIAIU-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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Related Compounds

4-[[2-(2-methoxyphenyl)imidazol-1-yl]methyl]benzoic acid
CID 82560557
1-[(4-bromophenyl)methyl]-2-(2-fluorophenyl)imidazole
CID 82562071
benzene-1,2,4-tricarboxylic acid;tris(1-benzyl-2-phenylimidazole)
CID 173037307
4-[[2-(3-acetamidophenyl)imidazol-1-yl]methyl]benzoic acid
CID 82559468
methyl 4-[[2-(2,3-dichlorophenyl)imidazol-1-yl]methyl]benzoate
CID 82561375
3-[2-(2-fluorophenyl)imidazol-1-yl]propan-1-amine
CID 82559058
4-[[2-(2-iodophenyl)imidazol-1-yl]methyl]phenol
CID 82560831
3-[[2-(4-chlorophenyl)imidazol-1-yl]methyl]benzoic acid
CID 82560578
1-[(4-chlorophenyl)methyl]-2-phenylimidazole
CID 3042995
2,4,6-tris(1-benzylimidazol-2-yl)phenol
CID 136721299
[4-[[2-(2,4-difluorophenyl)imidazol-1-yl]methyl]phenyl]methanamine
CID 82559863
1-benzyl-2-phenylimidazole;formic acid
CID 158419728

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(2-fluorophenyl)imidazol-1-yl]methyl]benzoic acid?
The IUPAC name of 4-[[2-(2-fluorophenyl)imidazol-1-yl]methyl]benzoic acid (CID 82560528) is 4-[[2-(2-fluorophenyl)imidazol-1-yl]methyl]benzoic acid.
What is the SMILES notation for 4-[[2-(2-fluorophenyl)imidazol-1-yl]methyl]benzoic acid?
The canonical SMILES for 4-[[2-(2-fluorophenyl)imidazol-1-yl]methyl]benzoic acid is O=C(O)c1ccc(Cn2ccnc2-c2ccccc2F)cc1.
What is the InChIKey of 4-[[2-(2-fluorophenyl)imidazol-1-yl]methyl]benzoic acid?
The InChIKey is QKLCZNHKIKIAIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FN2O2/c18-15-4-2-1-3-14(15)16-19-9-10-20(16)11-12-5-7-13(8-6-12)17(21)22/h1-10H,11H2,(H,21,22).
What are the key properties of 4-[[2-(2-fluorophenyl)imidazol-1-yl]methyl]benzoic acid?
4-[[2-(2-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 4-[[2-(2-fluorophenyl)imidazol-1-yl]methyl]benzoic acid is sourced from PubChem (CID 82560528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).