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

C14H15FN2O2 — CID 116882769

IUPAC2-[5-(4-fluoro-3-methylphenyl)-1H-imidazol-2-yl]butanoic acid
SMILESCCC(C(=O)O)c1ncc(-c2ccc(F)c(C)c2)[nH]1
InChIInChI=1S/C14H15FN2O2/c1-3-10(14(18)19)13-16-7-12(17-13)9-4-5-11(15)8(2)6-9/h4-7,10H,3H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyQUUNSAPSFGXQIF-UHFFFAOYSA-N
MW262.28 g/mol
LogP3.10
Rot. Bonds4

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

2-[5-(4-fluoro-3-methylphenyl)-1H-imidazol-2-yl]butanoic acid (PubChem CID 116882769) 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]butanoic acid.

Molecular Properties

Compound Name2-[5-(4-fluoro-3-methylphenyl)-1H-imidazol-2-yl]butanoic acid
PubChem CID116882769
Molecular FormulaC14H15FN2O2
Molecular Weight262.28 g/mol
Exact Mass262.11
IUPAC Name2-[5-(4-fluoro-3-methylphenyl)-1H-imidazol-2-yl]butanoic acid
SMILESCCC(C(=O)O)c1ncc(-c2ccc(F)c(C)c2)[nH]1
InChIInChI=1S/C14H15FN2O2/c1-3-10(14(18)19)13-16-7-12(17-13)9-4-5-11(15)8(2)6-9/h4-7,10H,3H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyQUUNSAPSFGXQIF-UHFFFAOYSA-N
XLogP3.10
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.28
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[5-(4-fluorophenyl)-1H-imidazol-2-yl]butanoic acid
CID 116882765
2-[5-(4-fluoro-3-methylphenyl)-1H-imidazol-2-yl]-2-(methylamino)acetic acid
CID 116883404
2-[5-(4-fluoro-3-methylphenyl)-1H-imidazol-2-yl]butan-1-ol
CID 116882853
methyl (2S)-2-amino-2-[5-(4-fluoro-3-methylphenyl)-1H-imidazol-2-yl]acetate
CID 102970522
5-(4-fluoro-3-methylphenyl)-1H-imidazole-2-carboxylic acid
CID 82079702
2-[5-(5-bromo-2-methylphenyl)-1H-imidazol-2-yl]butanoic acid
CID 116882782
1-[5-(4-fluoro-3-methylphenyl)-1H-imidazol-2-yl]ethanone
CID 116880620
2-[5-(4-fluoro-3-methylphenyl)-1H-imidazol-2-yl]-2-methylpropanoic acid
CID 116878701
3-[5-(4-fluoro-3-methylphenyl)-1H-imidazol-2-yl]propan-1-ol
CID 116878411
2-fluoro-5-(2-propan-2-yl-1H-imidazol-5-yl)phenol
CID 115031921
2-[5-(4-fluoro-3-methylphenyl)-1H-imidazol-2-yl]-N-methylethanamine
CID 82290112
[1-[5-(4-fluoro-3-methylphenyl)-1H-imidazol-2-yl]cyclopropyl]methanol
CID 116882008

Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-fluoro-3-methylphenyl)-1H-imidazol-2-yl]butanoic acid?
The IUPAC name of 2-[5-(4-fluoro-3-methylphenyl)-1H-imidazol-2-yl]butanoic acid (CID 116882769) is 2-[5-(4-fluoro-3-methylphenyl)-1H-imidazol-2-yl]butanoic acid.
What is the SMILES notation for 2-[5-(4-fluoro-3-methylphenyl)-1H-imidazol-2-yl]butanoic acid?
The canonical SMILES for 2-[5-(4-fluoro-3-methylphenyl)-1H-imidazol-2-yl]butanoic acid is CCC(C(=O)O)c1ncc(-c2ccc(F)c(C)c2)[nH]1.
What is the InChIKey of 2-[5-(4-fluoro-3-methylphenyl)-1H-imidazol-2-yl]butanoic acid?
The InChIKey is QUUNSAPSFGXQIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O2/c1-3-10(14(18)19)13-16-7-12(17-13)9-4-5-11(15)8(2)6-9/h4-7,10H,3H2,1-2H3,(H,16,17)(H,18,19).
What are the key properties of 2-[5-(4-fluoro-3-methylphenyl)-1H-imidazol-2-yl]butanoic acid?
2-[5-(4-fluoro-3-methylphenyl)-1H-imidazol-2-yl]butanoic acid has a molecular weight of 262.28 g/mol, XLogP of 3.10, 4 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]butanoic acid is sourced from PubChem (CID 116882769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).