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

C12H11FN2O2 — CID 82475767

IUPAC2-[3-(3-fluorophenyl)-5-methylimidazol-4-yl]acetic acid
SMILESCc1ncn(-c2cccc(F)c2)c1CC(=O)O
InChIInChI=1S/C12H11FN2O2/c1-8-11(6-12(16)17)15(7-14-8)10-4-2-3-9(13)5-10/h2-5,7H,6H2,1H3,(H,16,17)
InChIKeyVZMKYOBYCZKONC-UHFFFAOYSA-N
MW234.23 g/mol
LogP1.95
Rot. Bonds3

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

2-[3-(3-fluorophenyl)-5-methylimidazol-4-yl]acetic acid (PubChem CID 82475767) has the molecular formula C12H11FN2O2 and a molecular weight of 234.23 g/mol. Its IUPAC name is 2-[3-(3-fluorophenyl)-5-methylimidazol-4-yl]acetic acid.

Molecular Properties

Compound Name2-[3-(3-fluorophenyl)-5-methylimidazol-4-yl]acetic acid
PubChem CID82475767
Molecular FormulaC12H11FN2O2
Molecular Weight234.23 g/mol
Exact Mass234.08
IUPAC Name2-[3-(3-fluorophenyl)-5-methylimidazol-4-yl]acetic acid
SMILESCc1ncn(-c2cccc(F)c2)c1CC(=O)O
InChIInChI=1S/C12H11FN2O2/c1-8-11(6-12(16)17)15(7-14-8)10-4-2-3-9(13)5-10/h2-5,7H,6H2,1H3,(H,16,17)
InChIKeyVZMKYOBYCZKONC-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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Frequently Asked Questions

What is the IUPAC name of 2-[3-(3-fluorophenyl)-5-methylimidazol-4-yl]acetic acid?
The IUPAC name of 2-[3-(3-fluorophenyl)-5-methylimidazol-4-yl]acetic acid (CID 82475767) is 2-[3-(3-fluorophenyl)-5-methylimidazol-4-yl]acetic acid.
What is the SMILES notation for 2-[3-(3-fluorophenyl)-5-methylimidazol-4-yl]acetic acid?
The canonical SMILES for 2-[3-(3-fluorophenyl)-5-methylimidazol-4-yl]acetic acid is Cc1ncn(-c2cccc(F)c2)c1CC(=O)O.
What is the InChIKey of 2-[3-(3-fluorophenyl)-5-methylimidazol-4-yl]acetic acid?
The InChIKey is VZMKYOBYCZKONC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2O2/c1-8-11(6-12(16)17)15(7-14-8)10-4-2-3-9(13)5-10/h2-5,7H,6H2,1H3,(H,16,17).
What are the key properties of 2-[3-(3-fluorophenyl)-5-methylimidazol-4-yl]acetic acid?
2-[3-(3-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-(3-fluorophenyl)-5-methylimidazol-4-yl]acetic acid is sourced from PubChem (CID 82475767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).