2-[2-[4-(trifluoromethyl)phenyl]ethyl]-4,5-dihydro-1H-imidazole-5-carboxylic acid

C13H13F3N2O2 — CID 67540894

IUPAC2-[2-[4-(trifluoromethyl)phenyl]ethyl]-4,5-dihydro-1H-imidazole-5-carboxylic acid
SMILESO=C(O)C1CN=C(CCc2ccc(C(F)(F)F)cc2)N1
InChIInChI=1S/C13H13F3N2O2/c14-13(15,16)9-4-1-8(2-5-9)3-6-11-17-7-10(18-11)12(19)20/h1-2,4-5,10H,3,6-7H2,(H,17,18)(H,19,20)
InChIKeyQGNNTAMYMOGOIM-UHFFFAOYSA-N
MW286.25 g/mol
LogP2.09
Rot. Bonds4

About 2-[2-[4-(trifluoromethyl)phenyl]ethyl]-4,5-dihydro-1H-imidazole-5-carboxylic acid

2-[2-[4-(trifluoromethyl)phenyl]ethyl]-4,5-dihydro-1H-imidazole-5-carboxylic acid (PubChem CID 67540894) has the molecular formula C13H13F3N2O2 and a molecular weight of 286.25 g/mol. Its IUPAC name is 2-[2-[4-(trifluoromethyl)phenyl]ethyl]-4,5-dihydro-1H-imidazole-5-carboxylic acid.

Molecular Properties

Compound Name2-[2-[4-(trifluoromethyl)phenyl]ethyl]-4,5-dihydro-1H-imidazole-5-carboxylic acid
PubChem CID67540894
Molecular FormulaC13H13F3N2O2
Molecular Weight286.25 g/mol
Exact Mass286.09
IUPAC Name2-[2-[4-(trifluoromethyl)phenyl]ethyl]-4,5-dihydro-1H-imidazole-5-carboxylic acid
SMILESO=C(O)C1CN=C(CCc2ccc(C(F)(F)F)cc2)N1
InChIInChI=1S/C13H13F3N2O2/c14-13(15,16)9-4-1-8(2-5-9)3-6-11-17-7-10(18-11)12(19)20/h1-2,4-5,10H,3,6-7H2,(H,17,18)(H,19,20)
InChIKeyQGNNTAMYMOGOIM-UHFFFAOYSA-N
XLogP2.09
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.25
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-[4-(trifluoromethyl)phenyl]ethyl]benzoic acid
CID 151091518
4-[4-(trifluoromethyl)phenyl]butanoyl chloride
CID 165349049
1-(2-cyclopropylethyl)-4-(trifluoromethyl)benzene
CID 160836362
1-cyclopentyl-2-[4-(trifluoromethyl)phenyl]ethanone
CID 62114725
(4R)-2-[[4-(trifluoromethyl)phenyl]methyl]-4,5-dihydro-1,3-thiazole-4-carboxylic acid
CID 169004774
5-[2-[4-(trifluoromethyl)phenyl]ethyl]-1H-pyrazole-3-carbonyl chloride
CID 164819969
2-[2-[4-(trifluoromethyl)phenyl]ethyl]-1H-imidazole-5-carboxylic acid
CID 18469019
cyclohexyl 2-[4-(trifluoromethyl)phenyl]acetate
CID 52537150
1-[3-[4-(trifluoromethyl)phenyl]propanoyl]pyrrolidine-2-carboxylic acid
CID 119355979
4-phenyl-1-[4-(trifluoromethyl)phenyl]butan-2-one
CID 62115398
5-oxo-1-[2-[4-(trifluoromethyl)phenyl]ethyl]pyrrolidine-3-carboxylic acid
CID 168691390
(2R)-1-[2-[4-(trifluoromethyl)phenyl]acetyl]pyrrolidine-2-carboxylic acid
CID 78920281

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(trifluoromethyl)phenyl]ethyl]-4,5-dihydro-1H-imidazole-5-carboxylic acid?
The IUPAC name of 2-[2-[4-(trifluoromethyl)phenyl]ethyl]-4,5-dihydro-1H-imidazole-5-carboxylic acid (CID 67540894) is 2-[2-[4-(trifluoromethyl)phenyl]ethyl]-4,5-dihydro-1H-imidazole-5-carboxylic acid.
What is the SMILES notation for 2-[2-[4-(trifluoromethyl)phenyl]ethyl]-4,5-dihydro-1H-imidazole-5-carboxylic acid?
The canonical SMILES for 2-[2-[4-(trifluoromethyl)phenyl]ethyl]-4,5-dihydro-1H-imidazole-5-carboxylic acid is O=C(O)C1CN=C(CCc2ccc(C(F)(F)F)cc2)N1.
What is the InChIKey of 2-[2-[4-(trifluoromethyl)phenyl]ethyl]-4,5-dihydro-1H-imidazole-5-carboxylic acid?
The InChIKey is QGNNTAMYMOGOIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3N2O2/c14-13(15,16)9-4-1-8(2-5-9)3-6-11-17-7-10(18-11)12(19)20/h1-2,4-5,10H,3,6-7H2,(H,17,18)(H,19,20).
What are the key properties of 2-[2-[4-(trifluoromethyl)phenyl]ethyl]-4,5-dihydro-1H-imidazole-5-carboxylic acid?
2-[2-[4-(trifluoromethyl)phenyl]ethyl]-4,5-dihydro-1H-imidazole-5-carboxylic acid has a molecular weight of 286.25 g/mol, XLogP of 2.09, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(trifluoromethyl)phenyl]ethyl]-4,5-dihydro-1H-imidazole-5-carboxylic acid is sourced from PubChem (CID 67540894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).