2-[5-(4-fluoro-3-methylphenyl)-1H-imidazol-2-yl]-2-methylpropanoic acid

C14H15FN2O2 — CID 116878701

IUPAC2-[5-(4-fluoro-3-methylphenyl)-1H-imidazol-2-yl]-2-methylpropanoic acid
SMILESCc1cc(-c2cnc(C(C)(C)C(=O)O)[nH]2)ccc1F
InChIInChI=1S/C14H15FN2O2/c1-8-6-9(4-5-10(8)15)11-7-16-12(17-11)14(2,3)13(18)19/h4-7H,1-3H3,(H,16,17)(H,18,19)
InChIKeyXUXNCRSPMPIYPK-UHFFFAOYSA-N
MW262.28 g/mol
LogP2.89
Rot. Bonds3

About 2-[5-(4-fluoro-3-methylphenyl)-1H-imidazol-2-yl]-2-methylpropanoic acid

2-[5-(4-fluoro-3-methylphenyl)-1H-imidazol-2-yl]-2-methylpropanoic acid (PubChem CID 116878701) has the molecular formula C14H15FN2O2 and a molecular weight of 262.28 g/mol. Its IUPAC name is 2-[5-(4-fluoro-3-methylphenyl)-1H-imidazol-2-yl]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[5-(4-fluoro-3-methylphenyl)-1H-imidazol-2-yl]-2-methylpropanoic acid
PubChem CID116878701
Molecular FormulaC14H15FN2O2
Molecular Weight262.28 g/mol
Exact Mass262.11
IUPAC Name2-[5-(4-fluoro-3-methylphenyl)-1H-imidazol-2-yl]-2-methylpropanoic acid
SMILESCc1cc(-c2cnc(C(C)(C)C(=O)O)[nH]2)ccc1F
InChIInChI=1S/C14H15FN2O2/c1-8-6-9(4-5-10(8)15)11-7-16-12(17-11)14(2,3)13(18)19/h4-7H,1-3H3,(H,16,17)(H,18,19)
InChIKeyXUXNCRSPMPIYPK-UHFFFAOYSA-N
XLogP2.89
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.28
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-(4-fluoro-3-methylphenyl)-1H-imidazole-2-carboxylic acid
CID 82079702
1-[5-(4-fluoro-3-methylphenyl)-1H-imidazol-2-yl]ethanone
CID 116880620
2-[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]-2-methylpropanoic acid
CID 116878708
2-methyl-2-(5-pyridin-4-yl-1H-imidazol-2-yl)propanoic acid
CID 116878722
2-[5-(4-fluoro-3-methylphenyl)-1H-imidazol-2-yl]butanoic acid
CID 116882769
2-[5-(4-fluoro-3-methylphenyl)-1H-imidazol-2-yl]-2-(methylamino)acetic acid
CID 116883404
2-methyl-5-[2-(trifluoromethyl)-1H-imidazol-5-yl]benzoic acid
CID 115050372
methyl (2S)-2-amino-2-[5-(4-fluoro-3-methylphenyl)-1H-imidazol-2-yl]acetate
CID 102970522
[1-[5-(4-fluoro-3-methylphenyl)-1H-imidazol-2-yl]cyclopropyl]methanol
CID 116882008
2-fluoro-5-(2-methyl-1H-imidazol-5-yl)benzoic acid
CID 115031847
3-[5-(4-fluoro-3-methylphenyl)-1H-imidazol-2-yl]propan-1-ol
CID 116878411
6-(4-fluoro-3-methylphenyl)pyridine-3-carboxylic acid
CID 52984088

Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-fluoro-3-methylphenyl)-1H-imidazol-2-yl]-2-methylpropanoic acid?
The IUPAC name of 2-[5-(4-fluoro-3-methylphenyl)-1H-imidazol-2-yl]-2-methylpropanoic acid (CID 116878701) is 2-[5-(4-fluoro-3-methylphenyl)-1H-imidazol-2-yl]-2-methylpropanoic acid.
What is the SMILES notation for 2-[5-(4-fluoro-3-methylphenyl)-1H-imidazol-2-yl]-2-methylpropanoic acid?
The canonical SMILES for 2-[5-(4-fluoro-3-methylphenyl)-1H-imidazol-2-yl]-2-methylpropanoic acid is Cc1cc(-c2cnc(C(C)(C)C(=O)O)[nH]2)ccc1F.
What is the InChIKey of 2-[5-(4-fluoro-3-methylphenyl)-1H-imidazol-2-yl]-2-methylpropanoic acid?
The InChIKey is XUXNCRSPMPIYPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O2/c1-8-6-9(4-5-10(8)15)11-7-16-12(17-11)14(2,3)13(18)19/h4-7H,1-3H3,(H,16,17)(H,18,19).
What are the key properties of 2-[5-(4-fluoro-3-methylphenyl)-1H-imidazol-2-yl]-2-methylpropanoic acid?
2-[5-(4-fluoro-3-methylphenyl)-1H-imidazol-2-yl]-2-methylpropanoic acid has a molecular weight of 262.28 g/mol, XLogP of 2.89, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-fluoro-3-methylphenyl)-1H-imidazol-2-yl]-2-methylpropanoic acid is sourced from PubChem (CID 116878701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).