2-[1-methyl-5-(trifluoromethyl)imidazol-2-yl]acetic acid

C7H7F3N2O2 — CID 83848568

IUPAC2-[1-methyl-5-(trifluoromethyl)imidazol-2-yl]acetic acid
SMILESCn1c(C(F)(F)F)cnc1CC(=O)O
InChIInChI=1S/C7H7F3N2O2/c1-12-4(7(8,9)10)3-11-5(12)2-6(13)14/h3H,2H2,1H3,(H,13,14)
InChIKeyWREVPCBCNYMGAT-UHFFFAOYSA-N
MW208.14 g/mol
LogP1.07
Rot. Bonds2

About 2-[1-methyl-5-(trifluoromethyl)imidazol-2-yl]acetic acid

2-[1-methyl-5-(trifluoromethyl)imidazol-2-yl]acetic acid (PubChem CID 83848568) has the molecular formula C7H7F3N2O2 and a molecular weight of 208.14 g/mol. Its IUPAC name is 2-[1-methyl-5-(trifluoromethyl)imidazol-2-yl]acetic acid.

Molecular Properties

Compound Name2-[1-methyl-5-(trifluoromethyl)imidazol-2-yl]acetic acid
PubChem CID83848568
Molecular FormulaC7H7F3N2O2
Molecular Weight208.14 g/mol
Exact Mass208.05
IUPAC Name2-[1-methyl-5-(trifluoromethyl)imidazol-2-yl]acetic acid
SMILESCn1c(C(F)(F)F)cnc1CC(=O)O
InChIInChI=1S/C7H7F3N2O2/c1-12-4(7(8,9)10)3-11-5(12)2-6(13)14/h3H,2H2,1H3,(H,13,14)
InChIKeyWREVPCBCNYMGAT-UHFFFAOYSA-N
XLogP1.07
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.14
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-methyl-N-[[1-methyl-5-(trifluoromethyl)imidazol-2-yl]methyl]acetamide
CID 146076978
2-(5-cyclobutyl-1-methylimidazol-2-yl)acetic acid
CID 83847445
2-[2-(2-fluoropropan-2-yl)-3-methylimidazol-4-yl]acetic acid
CID 84775744
2-[1-methyl-5-(2-methylphenyl)imidazol-2-yl]acetic acid
CID 83850349
2-[5-hydroxy-2-(trifluoromethyl)-4-pyridinyl]acetic acid
CID 131472859
2-(5-fluoroimidazo[1,5-a]pyridin-3-yl)acetic acid
CID 83878679
hydron;2-(1-methylimidazol-2-yl)acetic acid;hexafluorophosphate
CID 174920085
1-(1,5-dimethylimidazol-2-yl)propan-2-one
CID 59225880
2-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxyacetic acid
CID 2801295
2-[2-(difluoromethyl)-3-methylimidazol-4-yl]acetic acid
CID 84771354
2-[2-(2,2-dimethylpropyl)-1,2,4-triazol-3-yl]acetic acid
CID 84667655
2-(4-bromo-1-methylimidazol-2-yl)acetic acid
CID 175221761

Frequently Asked Questions

What is the IUPAC name of 2-[1-methyl-5-(trifluoromethyl)imidazol-2-yl]acetic acid?
The IUPAC name of 2-[1-methyl-5-(trifluoromethyl)imidazol-2-yl]acetic acid (CID 83848568) is 2-[1-methyl-5-(trifluoromethyl)imidazol-2-yl]acetic acid.
What is the SMILES notation for 2-[1-methyl-5-(trifluoromethyl)imidazol-2-yl]acetic acid?
The canonical SMILES for 2-[1-methyl-5-(trifluoromethyl)imidazol-2-yl]acetic acid is Cn1c(C(F)(F)F)cnc1CC(=O)O.
What is the InChIKey of 2-[1-methyl-5-(trifluoromethyl)imidazol-2-yl]acetic acid?
The InChIKey is WREVPCBCNYMGAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F3N2O2/c1-12-4(7(8,9)10)3-11-5(12)2-6(13)14/h3H,2H2,1H3,(H,13,14).
What are the key properties of 2-[1-methyl-5-(trifluoromethyl)imidazol-2-yl]acetic acid?
2-[1-methyl-5-(trifluoromethyl)imidazol-2-yl]acetic acid has a molecular weight of 208.14 g/mol, XLogP of 1.07, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-methyl-5-(trifluoromethyl)imidazol-2-yl]acetic acid is sourced from PubChem (CID 83848568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).