2-[2-(2,4-difluorophenyl)imidazol-1-yl]acetic acid

C11H8F2N2O2 — CID 82560884

IUPAC2-[2-(2,4-difluorophenyl)imidazol-1-yl]acetic acid
SMILESO=C(O)Cn1ccnc1-c1ccc(F)cc1F
InChIInChI=1S/C11H8F2N2O2/c12-7-1-2-8(9(13)5-7)11-14-3-4-15(11)6-10(16)17/h1-5H,6H2,(H,16,17)
InChIKeyACXSNJDNHITOAU-UHFFFAOYSA-N
MW238.19 g/mol
LogP1.91
Rot. Bonds3

About 2-[2-(2,4-difluorophenyl)imidazol-1-yl]acetic acid

2-[2-(2,4-difluorophenyl)imidazol-1-yl]acetic acid (PubChem CID 82560884) has the molecular formula C11H8F2N2O2 and a molecular weight of 238.19 g/mol. Its IUPAC name is 2-[2-(2,4-difluorophenyl)imidazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[2-(2,4-difluorophenyl)imidazol-1-yl]acetic acid
PubChem CID82560884
Molecular FormulaC11H8F2N2O2
Molecular Weight238.19 g/mol
Exact Mass238.06
IUPAC Name2-[2-(2,4-difluorophenyl)imidazol-1-yl]acetic acid
SMILESO=C(O)Cn1ccnc1-c1ccc(F)cc1F
InChIInChI=1S/C11H8F2N2O2/c12-7-1-2-8(9(13)5-7)11-14-3-4-15(11)6-10(16)17/h1-5H,6H2,(H,16,17)
InChIKeyACXSNJDNHITOAU-UHFFFAOYSA-N
XLogP1.91
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.19
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(2,4-difluorophenyl)imidazol-1-yl]acetonitrile
CID 82561742
[4-[[2-(2,4-difluorophenyl)imidazol-1-yl]methyl]phenyl]methanamine
CID 82559863
2-(2-phenylimidazol-1-yl)acetic acid
CID 3145945
acetic acid;(2S)-1-[2-(2-fluoro-4-methylphenyl)imidazol-1-yl]propan-2-ol
CID 163340686
1-[1-[2-(2,4-difluorophenyl)imidazol-1-yl]propan-2-yl]-4-methylpiperazine
CID 70746755
2-(1-ethylimidazol-2-yl)-5-fluoroaniline
CID 107626587
2-(2-methylimidazol-1-yl)acetic acid;zinc
CID 175370537
2-(6-fluoroindol-1-yl)acetic acid
CID 6498201
4-[[2-(2-fluorophenyl)imidazol-1-yl]methyl]benzoic acid
CID 82560528
2-[2-(2,5-dichlorophenyl)imidazol-1-yl]acetamide
CID 82559595
N-[[3-fluoro-4-(1-propylimidazol-2-yl)phenyl]methyl]ethanamine
CID 81447747
3-(4-fluorophenyl)-3-[[2-(2-phenylimidazol-1-yl)acetyl]amino]propanoic acid
CID 72907292

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,4-difluorophenyl)imidazol-1-yl]acetic acid?
The IUPAC name of 2-[2-(2,4-difluorophenyl)imidazol-1-yl]acetic acid (CID 82560884) is 2-[2-(2,4-difluorophenyl)imidazol-1-yl]acetic acid.
What is the SMILES notation for 2-[2-(2,4-difluorophenyl)imidazol-1-yl]acetic acid?
The canonical SMILES for 2-[2-(2,4-difluorophenyl)imidazol-1-yl]acetic acid is O=C(O)Cn1ccnc1-c1ccc(F)cc1F.
What is the InChIKey of 2-[2-(2,4-difluorophenyl)imidazol-1-yl]acetic acid?
The InChIKey is ACXSNJDNHITOAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F2N2O2/c12-7-1-2-8(9(13)5-7)11-14-3-4-15(11)6-10(16)17/h1-5H,6H2,(H,16,17).
What are the key properties of 2-[2-(2,4-difluorophenyl)imidazol-1-yl]acetic acid?
2-[2-(2,4-difluorophenyl)imidazol-1-yl]acetic acid has a molecular weight of 238.19 g/mol, XLogP of 1.91, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,4-difluorophenyl)imidazol-1-yl]acetic acid is sourced from PubChem (CID 82560884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).