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

C13H13FN2O2 — CID 82480142

IUPAC2-[3-[(2-fluorophenyl)methyl]-5-methylimidazol-4-yl]acetic acid
SMILESCc1ncn(Cc2ccccc2F)c1CC(=O)O
InChIInChI=1S/C13H13FN2O2/c1-9-12(6-13(17)18)16(8-15-9)7-10-4-2-3-5-11(10)14/h2-5,8H,6-7H2,1H3,(H,17,18)
InChIKeyIMFWLFINOMOSRJ-UHFFFAOYSA-N
MW248.26 g/mol
LogP2.01
Rot. Bonds4

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

2-[3-[(2-fluorophenyl)methyl]-5-methylimidazol-4-yl]acetic acid (PubChem CID 82480142) has the molecular formula C13H13FN2O2 and a molecular weight of 248.26 g/mol. Its IUPAC name is 2-[3-[(2-fluorophenyl)methyl]-5-methylimidazol-4-yl]acetic acid.

Molecular Properties

Compound Name2-[3-[(2-fluorophenyl)methyl]-5-methylimidazol-4-yl]acetic acid
PubChem CID82480142
Molecular FormulaC13H13FN2O2
Molecular Weight248.26 g/mol
Exact Mass248.10
IUPAC Name2-[3-[(2-fluorophenyl)methyl]-5-methylimidazol-4-yl]acetic acid
SMILESCc1ncn(Cc2ccccc2F)c1CC(=O)O
InChIInChI=1S/C13H13FN2O2/c1-9-12(6-13(17)18)16(8-15-9)7-10-4-2-3-5-11(10)14/h2-5,8H,6-7H2,1H3,(H,17,18)
InChIKeyIMFWLFINOMOSRJ-UHFFFAOYSA-N
XLogP2.01
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.26
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(2-fluorophenyl)-5-methylimidazol-4-yl]acetic acid
CID 82475763
1-[(2-fluorophenyl)methyl]imidazole-4,5-dicarboxamide
CID 122517685
6-[(2-fluorophenyl)methyl]-1,3-dimethylpyrazolo[4,5-d]pyrimidin-7-one
CID 39892488
3-[3-(2-fluorophenyl)-2-oxopropyl]-5-iodo-6-methylpyrimidin-4-one
CID 66342676
2-[1-[(2-fluorophenyl)methyl]-4-methylimidazol-2-yl]sulfanylacetic acid
CID 81336596
2-[3-(3-fluorophenyl)-5-methylimidazol-4-yl]acetic acid
CID 82475767
5,6-dichloro-3-[(2-fluorophenyl)methyl]pyrimidin-4-one
CID 114583259
6-chloro-3-[(2-fluorophenyl)methyl]pyrimidin-4-one
CID 114582406
3-[(2-fluorophenyl)methyl]-5-(propanoylamino)imidazole-4-carboxamide
CID 18360168
1-[(2-fluorophenyl)methyl]-3-methyl-1,2,4-triazole
CID 172850572
6-chloro-3-[(2-fluorophenyl)methyl]-5-methoxypyrimidin-4-one
CID 114585464
carbonic acid;1-ethyl-2-fluorobenzene
CID 174964119

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(2-fluorophenyl)methyl]-5-methylimidazol-4-yl]acetic acid?
The IUPAC name of 2-[3-[(2-fluorophenyl)methyl]-5-methylimidazol-4-yl]acetic acid (CID 82480142) is 2-[3-[(2-fluorophenyl)methyl]-5-methylimidazol-4-yl]acetic acid.
What is the SMILES notation for 2-[3-[(2-fluorophenyl)methyl]-5-methylimidazol-4-yl]acetic acid?
The canonical SMILES for 2-[3-[(2-fluorophenyl)methyl]-5-methylimidazol-4-yl]acetic acid is Cc1ncn(Cc2ccccc2F)c1CC(=O)O.
What is the InChIKey of 2-[3-[(2-fluorophenyl)methyl]-5-methylimidazol-4-yl]acetic acid?
The InChIKey is IMFWLFINOMOSRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2O2/c1-9-12(6-13(17)18)16(8-15-9)7-10-4-2-3-5-11(10)14/h2-5,8H,6-7H2,1H3,(H,17,18).
What are the key properties of 2-[3-[(2-fluorophenyl)methyl]-5-methylimidazol-4-yl]acetic acid?
2-[3-[(2-fluorophenyl)methyl]-5-methylimidazol-4-yl]acetic acid has a molecular weight of 248.26 g/mol, XLogP of 2.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(2-fluorophenyl)methyl]-5-methylimidazol-4-yl]acetic acid is sourced from PubChem (CID 82480142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).