2-[3-(2-fluorophenyl)-5-methylimidazol-4-yl]acetic acid

C12H11FN2O2 — CID 82475763

IUPAC2-[3-(2-fluorophenyl)-5-methylimidazol-4-yl]acetic acid
SMILESCc1ncn(-c2ccccc2F)c1CC(=O)O
InChIInChI=1S/C12H11FN2O2/c1-8-11(6-12(16)17)15(7-14-8)10-5-3-2-4-9(10)13/h2-5,7H,6H2,1H3,(H,16,17)
InChIKeyDEAMRBIWXRVOOB-UHFFFAOYSA-N
MW234.23 g/mol
LogP1.95
Rot. Bonds3

About 2-[3-(2-fluorophenyl)-5-methylimidazol-4-yl]acetic acid

2-[3-(2-fluorophenyl)-5-methylimidazol-4-yl]acetic acid (PubChem CID 82475763) has the molecular formula C12H11FN2O2 and a molecular weight of 234.23 g/mol. Its IUPAC name is 2-[3-(2-fluorophenyl)-5-methylimidazol-4-yl]acetic acid.

Molecular Properties

Compound Name2-[3-(2-fluorophenyl)-5-methylimidazol-4-yl]acetic acid
PubChem CID82475763
Molecular FormulaC12H11FN2O2
Molecular Weight234.23 g/mol
Exact Mass234.08
IUPAC Name2-[3-(2-fluorophenyl)-5-methylimidazol-4-yl]acetic acid
SMILESCc1ncn(-c2ccccc2F)c1CC(=O)O
InChIInChI=1S/C12H11FN2O2/c1-8-11(6-12(16)17)15(7-14-8)10-5-3-2-4-9(10)13/h2-5,7H,6H2,1H3,(H,16,17)
InChIKeyDEAMRBIWXRVOOB-UHFFFAOYSA-N
XLogP1.95
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.23
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-[(2-fluorophenyl)methyl]-5-methylimidazol-4-yl]acetic acid
CID 82480142
2-[3-(3-fluorophenyl)-5-methylimidazol-4-yl]acetic acid
CID 82475767
2-[1-(2-fluorophenyl)imidazol-4-yl]acetic acid
CID 82472522
2-[1-(2-fluorophenyl)-4-phenylpyrazol-3-yl]acetic acid
CID 12887030
2-(7-fluoro-2-methylindazol-3-yl)acetic acid
CID 84722582
4-(2-fluorophenyl)-1,2,4-triazole-3-carboxylic acid
CID 83883043
[3-(2-cyano-3-fluorophenyl)-5-methylimidazol-4-yl]methyl-trimethylazanium
CID 87441465
2-(4,5-dimethylimidazol-1-yl)-3-fluorobenzoic acid
CID 62649127
5-amino-1-(2-fluorophenyl)-3-methylpyrazole-4-carboxylic acid
CID 71044411
2-[1-(2-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-2-oxoacetic acid
CID 82133196
2-[2-(2-fluorophenyl)-5-oxo-1H-pyrazol-4-yl]acetic acid
CID 83896960
methyl 3-[1-(2-fluorophenyl)-3,5-dimethylpyrazol-4-yl]propanoate
CID 61381036

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-fluorophenyl)-5-methylimidazol-4-yl]acetic acid?
The IUPAC name of 2-[3-(2-fluorophenyl)-5-methylimidazol-4-yl]acetic acid (CID 82475763) is 2-[3-(2-fluorophenyl)-5-methylimidazol-4-yl]acetic acid.
What is the SMILES notation for 2-[3-(2-fluorophenyl)-5-methylimidazol-4-yl]acetic acid?
The canonical SMILES for 2-[3-(2-fluorophenyl)-5-methylimidazol-4-yl]acetic acid is Cc1ncn(-c2ccccc2F)c1CC(=O)O.
What is the InChIKey of 2-[3-(2-fluorophenyl)-5-methylimidazol-4-yl]acetic acid?
The InChIKey is DEAMRBIWXRVOOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2O2/c1-8-11(6-12(16)17)15(7-14-8)10-5-3-2-4-9(10)13/h2-5,7H,6H2,1H3,(H,16,17).
What are the key properties of 2-[3-(2-fluorophenyl)-5-methylimidazol-4-yl]acetic acid?
2-[3-(2-fluorophenyl)-5-methylimidazol-4-yl]acetic acid has a molecular weight of 234.23 g/mol, XLogP of 1.95, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-fluorophenyl)-5-methylimidazol-4-yl]acetic acid is sourced from PubChem (CID 82475763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).