5-[3-[2-(trifluoromethyl)phenyl]phenyl]-1H-imidazole-2-carboxylic acid

C17H11F3N2O2 — CID 11427540

IUPAC5-[3-[2-(trifluoromethyl)phenyl]phenyl]-1H-imidazole-2-carboxylic acid
SMILESO=C(O)c1ncc(-c2cccc(-c3ccccc3C(F)(F)F)c2)[nH]1
InChIInChI=1S/C17H11F3N2O2/c18-17(19,20)13-7-2-1-6-12(13)10-4-3-5-11(8-10)14-9-21-15(22-14)16(23)24/h1-9H,(H,21,22)(H,23,24)
InChIKeyAFGBTIJRWKOXJH-UHFFFAOYSA-N
MW332.28 g/mol
LogP4.46
Rot. Bonds3

About 5-[3-[2-(trifluoromethyl)phenyl]phenyl]-1H-imidazole-2-carboxylic acid

5-[3-[2-(trifluoromethyl)phenyl]phenyl]-1H-imidazole-2-carboxylic acid (PubChem CID 11427540) has the molecular formula C17H11F3N2O2 and a molecular weight of 332.28 g/mol. Its IUPAC name is 5-[3-[2-(trifluoromethyl)phenyl]phenyl]-1H-imidazole-2-carboxylic acid.

Molecular Properties

Compound Name5-[3-[2-(trifluoromethyl)phenyl]phenyl]-1H-imidazole-2-carboxylic acid
PubChem CID11427540
Molecular FormulaC17H11F3N2O2
Molecular Weight332.28 g/mol
Exact Mass332.08
IUPAC Name5-[3-[2-(trifluoromethyl)phenyl]phenyl]-1H-imidazole-2-carboxylic acid
SMILESO=C(O)c1ncc(-c2cccc(-c3ccccc3C(F)(F)F)c2)[nH]1
InChIInChI=1S/C17H11F3N2O2/c18-17(19,20)13-7-2-1-6-12(13)10-4-3-5-11(8-10)14-9-21-15(22-14)16(23)24/h1-9H,(H,21,22)(H,23,24)
InChIKeyAFGBTIJRWKOXJH-UHFFFAOYSA-N
XLogP4.46
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.28
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-[3-[2-(trifluoromethyl)phenyl]phenyl]-1H-imidazole-2-carboxylic acid?
The IUPAC name of 5-[3-[2-(trifluoromethyl)phenyl]phenyl]-1H-imidazole-2-carboxylic acid (CID 11427540) is 5-[3-[2-(trifluoromethyl)phenyl]phenyl]-1H-imidazole-2-carboxylic acid.
What is the SMILES notation for 5-[3-[2-(trifluoromethyl)phenyl]phenyl]-1H-imidazole-2-carboxylic acid?
The canonical SMILES for 5-[3-[2-(trifluoromethyl)phenyl]phenyl]-1H-imidazole-2-carboxylic acid is O=C(O)c1ncc(-c2cccc(-c3ccccc3C(F)(F)F)c2)[nH]1.
What is the InChIKey of 5-[3-[2-(trifluoromethyl)phenyl]phenyl]-1H-imidazole-2-carboxylic acid?
The InChIKey is AFGBTIJRWKOXJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11F3N2O2/c18-17(19,20)13-7-2-1-6-12(13)10-4-3-5-11(8-10)14-9-21-15(22-14)16(23)24/h1-9H,(H,21,22)(H,23,24).
What are the key properties of 5-[3-[2-(trifluoromethyl)phenyl]phenyl]-1H-imidazole-2-carboxylic acid?
5-[3-[2-(trifluoromethyl)phenyl]phenyl]-1H-imidazole-2-carboxylic acid has a molecular weight of 332.28 g/mol, XLogP of 4.46, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[2-(trifluoromethyl)phenyl]phenyl]-1H-imidazole-2-carboxylic acid is sourced from PubChem (CID 11427540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).