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

C13H14FN3O2 — CID 116883404

IUPAC2-[5-(4-fluoro-3-methylphenyl)-1H-imidazol-2-yl]-2-(methylamino)acetic acid
SMILESCNC(C(=O)O)c1ncc(-c2ccc(F)c(C)c2)[nH]1
InChIInChI=1S/C13H14FN3O2/c1-7-5-8(3-4-9(7)14)10-6-16-12(17-10)11(15-2)13(18)19/h3-6,11,15H,1-2H3,(H,16,17)(H,18,19)
InChIKeyFUBPSJDELHJJBJ-UHFFFAOYSA-N
MW263.27 g/mol
LogP1.87
Rot. Bonds4

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

2-[5-(4-fluoro-3-methylphenyl)-1H-imidazol-2-yl]-2-(methylamino)acetic acid (PubChem CID 116883404) has the molecular formula C13H14FN3O2 and a molecular weight of 263.27 g/mol. Its IUPAC name is 2-[5-(4-fluoro-3-methylphenyl)-1H-imidazol-2-yl]-2-(methylamino)acetic acid.

Molecular Properties

Compound Name2-[5-(4-fluoro-3-methylphenyl)-1H-imidazol-2-yl]-2-(methylamino)acetic acid
PubChem CID116883404
Molecular FormulaC13H14FN3O2
Molecular Weight263.27 g/mol
Exact Mass263.11
IUPAC Name2-[5-(4-fluoro-3-methylphenyl)-1H-imidazol-2-yl]-2-(methylamino)acetic acid
SMILESCNC(C(=O)O)c1ncc(-c2ccc(F)c(C)c2)[nH]1
InChIInChI=1S/C13H14FN3O2/c1-7-5-8(3-4-9(7)14)10-6-16-12(17-10)11(15-2)13(18)19/h3-6,11,15H,1-2H3,(H,16,17)(H,18,19)
InChIKeyFUBPSJDELHJJBJ-UHFFFAOYSA-N
XLogP1.87
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.27
LogP ≤ 51.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[5-(4-fluoro-3-methylphenyl)-1H-imidazol-2-yl]butanoic acid
CID 116882769
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-(4-fluoro-3-methylphenyl)-1H-imidazol-2-yl]butan-1-ol
CID 116882853
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
2-[5-(4-fluoro-3-methylphenyl)-1H-imidazol-2-yl]-N-methylethanamine
CID 82290112
2-(methylamino)-2-(5-thiophen-2-yl-1H-imidazol-2-yl)acetic acid
CID 116883394
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
[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

Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-fluoro-3-methylphenyl)-1H-imidazol-2-yl]-2-(methylamino)acetic acid?
The IUPAC name of 2-[5-(4-fluoro-3-methylphenyl)-1H-imidazol-2-yl]-2-(methylamino)acetic acid (CID 116883404) is 2-[5-(4-fluoro-3-methylphenyl)-1H-imidazol-2-yl]-2-(methylamino)acetic acid.
What is the SMILES notation for 2-[5-(4-fluoro-3-methylphenyl)-1H-imidazol-2-yl]-2-(methylamino)acetic acid?
The canonical SMILES for 2-[5-(4-fluoro-3-methylphenyl)-1H-imidazol-2-yl]-2-(methylamino)acetic acid is CNC(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]-2-(methylamino)acetic acid?
The InChIKey is FUBPSJDELHJJBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3O2/c1-7-5-8(3-4-9(7)14)10-6-16-12(17-10)11(15-2)13(18)19/h3-6,11,15H,1-2H3,(H,16,17)(H,18,19).
What are the key properties of 2-[5-(4-fluoro-3-methylphenyl)-1H-imidazol-2-yl]-2-(methylamino)acetic acid?
2-[5-(4-fluoro-3-methylphenyl)-1H-imidazol-2-yl]-2-(methylamino)acetic acid has a molecular weight of 263.27 g/mol, XLogP of 1.87, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-fluoro-3-methylphenyl)-1H-imidazol-2-yl]-2-(methylamino)acetic acid is sourced from PubChem (CID 116883404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).