2-[5-methyl-2-(trifluoromethyl)-1H-imidazol-4-yl]acetic acid

C7H7F3N2O2 — CID 130118632

IUPAC2-[5-methyl-2-(trifluoromethyl)-1H-imidazol-4-yl]acetic acid
SMILESCc1[nH]c(C(F)(F)F)nc1CC(=O)O
InChIInChI=1S/C7H7F3N2O2/c1-3-4(2-5(13)14)12-6(11-3)7(8,9)10/h2H2,1H3,(H,11,12)(H,13,14)
InChIKeyXEZLIHRTCXWQTP-UHFFFAOYSA-N
MW208.14 g/mol
LogP1.36
Rot. Bonds2

About 2-[5-methyl-2-(trifluoromethyl)-1H-imidazol-4-yl]acetic acid

2-[5-methyl-2-(trifluoromethyl)-1H-imidazol-4-yl]acetic acid (PubChem CID 130118632) has the molecular formula C7H7F3N2O2 and a molecular weight of 208.14 g/mol. Its IUPAC name is 2-[5-methyl-2-(trifluoromethyl)-1H-imidazol-4-yl]acetic acid.

Molecular Properties

Compound Name2-[5-methyl-2-(trifluoromethyl)-1H-imidazol-4-yl]acetic acid
PubChem CID130118632
Molecular FormulaC7H7F3N2O2
Molecular Weight208.14 g/mol
Exact Mass208.05
IUPAC Name2-[5-methyl-2-(trifluoromethyl)-1H-imidazol-4-yl]acetic acid
SMILESCc1[nH]c(C(F)(F)F)nc1CC(=O)O
InChIInChI=1S/C7H7F3N2O2/c1-3-4(2-5(13)14)12-6(11-3)7(8,9)10/h2H2,1H3,(H,11,12)(H,13,14)
InChIKeyXEZLIHRTCXWQTP-UHFFFAOYSA-N
XLogP1.36
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.14
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[5-methyl-2-(trifluoromethyl)-1H-imidazol-4-yl]acetic acid?
The IUPAC name of 2-[5-methyl-2-(trifluoromethyl)-1H-imidazol-4-yl]acetic acid (CID 130118632) is 2-[5-methyl-2-(trifluoromethyl)-1H-imidazol-4-yl]acetic acid.
What is the SMILES notation for 2-[5-methyl-2-(trifluoromethyl)-1H-imidazol-4-yl]acetic acid?
The canonical SMILES for 2-[5-methyl-2-(trifluoromethyl)-1H-imidazol-4-yl]acetic acid is Cc1[nH]c(C(F)(F)F)nc1CC(=O)O.
What is the InChIKey of 2-[5-methyl-2-(trifluoromethyl)-1H-imidazol-4-yl]acetic acid?
The InChIKey is XEZLIHRTCXWQTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F3N2O2/c1-3-4(2-5(13)14)12-6(11-3)7(8,9)10/h2H2,1H3,(H,11,12)(H,13,14).
What are the key properties of 2-[5-methyl-2-(trifluoromethyl)-1H-imidazol-4-yl]acetic acid?
2-[5-methyl-2-(trifluoromethyl)-1H-imidazol-4-yl]acetic acid has a molecular weight of 208.14 g/mol, XLogP of 1.36, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-methyl-2-(trifluoromethyl)-1H-imidazol-4-yl]acetic acid is sourced from PubChem (CID 130118632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).