2-fluoro-5-(2-methyl-1H-imidazol-5-yl)benzoic acid

C11H9FN2O2 — CID 115031847

IUPAC2-fluoro-5-(2-methyl-1H-imidazol-5-yl)benzoic acid
SMILESCc1ncc(-c2ccc(F)c(C(=O)O)c2)[nH]1
InChIInChI=1S/C11H9FN2O2/c1-6-13-5-10(14-6)7-2-3-9(12)8(4-7)11(15)16/h2-5H,1H3,(H,13,14)(H,15,16)
InChIKeyHDIDLRIYCPOVMD-UHFFFAOYSA-N
MW220.20 g/mol
LogP2.22
Rot. Bonds2

About 2-fluoro-5-(2-methyl-1H-imidazol-5-yl)benzoic acid

2-fluoro-5-(2-methyl-1H-imidazol-5-yl)benzoic acid (PubChem CID 115031847) has the molecular formula C11H9FN2O2 and a molecular weight of 220.20 g/mol. Its IUPAC name is 2-fluoro-5-(2-methyl-1H-imidazol-5-yl)benzoic acid.

Molecular Properties

Compound Name2-fluoro-5-(2-methyl-1H-imidazol-5-yl)benzoic acid
PubChem CID115031847
Molecular FormulaC11H9FN2O2
Molecular Weight220.20 g/mol
Exact Mass220.06
IUPAC Name2-fluoro-5-(2-methyl-1H-imidazol-5-yl)benzoic acid
SMILESCc1ncc(-c2ccc(F)c(C(=O)O)c2)[nH]1
InChIInChI=1S/C11H9FN2O2/c1-6-13-5-10(14-6)7-2-3-9(12)8(4-7)11(15)16/h2-5H,1H3,(H,13,14)(H,15,16)
InChIKeyHDIDLRIYCPOVMD-UHFFFAOYSA-N
XLogP2.22
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.20
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-(3-chloro-4-fluorophenyl)-2-methyl-1H-imidazole
CID 116883867
5-(4-fluoro-3-methylphenyl)-1H-imidazole-2-carboxylic acid
CID 82079702
2-methyl-5-[2-(trifluoromethyl)-1H-imidazol-5-yl]benzoic acid
CID 115050372
2-fluoro-5-(2-methoxypyrimidin-5-yl)benzoic acid
CID 112747590
1-[5-(4-fluoro-3-methylphenyl)-1H-imidazol-2-yl]ethanone
CID 116880620
2-fluoro-5-(2,4,5-trimethylphenyl)benzoic acid
CID 64984855
1-[3-(2-methyl-1H-imidazol-5-yl)phenyl]ethanone
CID 39805487
2-[5-(4-fluoro-3-methylphenyl)-1H-imidazol-2-yl]-2-methylpropanoic acid
CID 116878701
2-methyl-5-[4-(4-methylphenyl)phenyl]-1H-imidazole
CID 118357531
azane;2-methyl-5-(4-methylphenyl)-1H-imidazole
CID 175302356
2-fluoro-5-(1-methylpyrazol-4-yl)benzoic acid
CID 39826399
2-fluoro-5-(5-methyl-1-propylpyrazol-4-yl)benzoic acid
CID 66098697

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-(2-methyl-1H-imidazol-5-yl)benzoic acid?
The IUPAC name of 2-fluoro-5-(2-methyl-1H-imidazol-5-yl)benzoic acid (CID 115031847) is 2-fluoro-5-(2-methyl-1H-imidazol-5-yl)benzoic acid.
What is the SMILES notation for 2-fluoro-5-(2-methyl-1H-imidazol-5-yl)benzoic acid?
The canonical SMILES for 2-fluoro-5-(2-methyl-1H-imidazol-5-yl)benzoic acid is Cc1ncc(-c2ccc(F)c(C(=O)O)c2)[nH]1.
What is the InChIKey of 2-fluoro-5-(2-methyl-1H-imidazol-5-yl)benzoic acid?
The InChIKey is HDIDLRIYCPOVMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9FN2O2/c1-6-13-5-10(14-6)7-2-3-9(12)8(4-7)11(15)16/h2-5H,1H3,(H,13,14)(H,15,16).
What are the key properties of 2-fluoro-5-(2-methyl-1H-imidazol-5-yl)benzoic acid?
2-fluoro-5-(2-methyl-1H-imidazol-5-yl)benzoic acid has a molecular weight of 220.20 g/mol, XLogP of 2.22, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-(2-methyl-1H-imidazol-5-yl)benzoic acid is sourced from PubChem (CID 115031847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).