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

C13H11F3N2O2 — CID 82560307

IUPAC2-[2-[[2-(trifluoromethyl)phenyl]methyl]imidazol-1-yl]acetic acid
SMILESO=C(O)Cn1ccnc1Cc1ccccc1C(F)(F)F
InChIInChI=1S/C13H11F3N2O2/c14-13(15,16)10-4-2-1-3-9(10)7-11-17-5-6-18(11)8-12(19)20/h1-6H,7-8H2,(H,19,20)
InChIKeyMRHNKJDCRGTRQL-UHFFFAOYSA-N
MW284.24 g/mol
LogP2.58
Rot. Bonds4

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

2-[2-[[2-(trifluoromethyl)phenyl]methyl]imidazol-1-yl]acetic acid (PubChem CID 82560307) has the molecular formula C13H11F3N2O2 and a molecular weight of 284.24 g/mol. Its IUPAC name is 2-[2-[[2-(trifluoromethyl)phenyl]methyl]imidazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[2-[[2-(trifluoromethyl)phenyl]methyl]imidazol-1-yl]acetic acid
PubChem CID82560307
Molecular FormulaC13H11F3N2O2
Molecular Weight284.24 g/mol
Exact Mass284.08
IUPAC Name2-[2-[[2-(trifluoromethyl)phenyl]methyl]imidazol-1-yl]acetic acid
SMILESO=C(O)Cn1ccnc1Cc1ccccc1C(F)(F)F
InChIInChI=1S/C13H11F3N2O2/c14-13(15,16)10-4-2-1-3-9(10)7-11-17-5-6-18(11)8-12(19)20/h1-6H,7-8H2,(H,19,20)
InChIKeyMRHNKJDCRGTRQL-UHFFFAOYSA-N
XLogP2.58
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.24
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-[(2-chlorophenyl)methyl]imidazol-1-yl]acetic acid
CID 82560014
2-[2-[(2-aminophenyl)methyl]imidazol-1-yl]acetic acid
CID 82558769
N-methyl-2-[2-[[2-(trifluoromethyl)phenyl]methyl]imidazol-1-yl]ethanamine
CID 82558534
2-[2-(pyridin-2-ylmethyl)imidazol-1-yl]acetic acid
CID 82560133
4-[[2-[[2-(trifluoromethyl)phenyl]methyl]imidazol-1-yl]methyl]benzonitrile
CID 82561544
2-[2-[(4-aminophenyl)methyl]imidazol-1-yl]acetic acid
CID 82558589
methanol;2-[2-(trifluoromethyl)phenyl]acetic acid
CID 70254547
2-[2-[[4-(dimethylamino)phenyl]methyl]imidazol-1-yl]acetic acid
CID 82560223
2-(2-ethylimidazol-1-yl)-1-[(3R)-3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]ethanone
CID 95502354
2-(2-phenylimidazol-1-yl)acetic acid
CID 3145945
1-prop-2-enyl-N-[[2-(trifluoromethyl)phenyl]methyl]imidazol-2-amine
CID 106570549
N-cyclopropyl-4-methyl-N-[[1-[[2-(trifluoromethyl)phenyl]methyl]imidazol-2-yl]methyl]benzamide
CID 42820580

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[2-(trifluoromethyl)phenyl]methyl]imidazol-1-yl]acetic acid?
The IUPAC name of 2-[2-[[2-(trifluoromethyl)phenyl]methyl]imidazol-1-yl]acetic acid (CID 82560307) is 2-[2-[[2-(trifluoromethyl)phenyl]methyl]imidazol-1-yl]acetic acid.
What is the SMILES notation for 2-[2-[[2-(trifluoromethyl)phenyl]methyl]imidazol-1-yl]acetic acid?
The canonical SMILES for 2-[2-[[2-(trifluoromethyl)phenyl]methyl]imidazol-1-yl]acetic acid is O=C(O)Cn1ccnc1Cc1ccccc1C(F)(F)F.
What is the InChIKey of 2-[2-[[2-(trifluoromethyl)phenyl]methyl]imidazol-1-yl]acetic acid?
The InChIKey is MRHNKJDCRGTRQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F3N2O2/c14-13(15,16)10-4-2-1-3-9(10)7-11-17-5-6-18(11)8-12(19)20/h1-6H,7-8H2,(H,19,20).
What are the key properties of 2-[2-[[2-(trifluoromethyl)phenyl]methyl]imidazol-1-yl]acetic acid?
2-[2-[[2-(trifluoromethyl)phenyl]methyl]imidazol-1-yl]acetic acid has a molecular weight of 284.24 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[2-(trifluoromethyl)phenyl]methyl]imidazol-1-yl]acetic acid is sourced from PubChem (CID 82560307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).