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

C16H11F3N2 — CID 11380674

IUPAC5-[3-[2-(trifluoromethyl)phenyl]phenyl]-1H-imidazole
SMILESFC(F)(F)c1ccccc1-c1cccc(-c2cnc[nH]2)c1
InChIInChI=1S/C16H11F3N2/c17-16(18,19)14-7-2-1-6-13(14)11-4-3-5-12(8-11)15-9-20-10-21-15/h1-10H,(H,20,21)
InChIKeyLOMHDTDKMKKMKY-UHFFFAOYSA-N
MW288.27 g/mol
LogP4.76
Rot. Bonds2

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

5-[3-[2-(trifluoromethyl)phenyl]phenyl]-1H-imidazole (PubChem CID 11380674) has the molecular formula C16H11F3N2 and a molecular weight of 288.27 g/mol. Its IUPAC name is 5-[3-[2-(trifluoromethyl)phenyl]phenyl]-1H-imidazole.

Molecular Properties

Compound Name5-[3-[2-(trifluoromethyl)phenyl]phenyl]-1H-imidazole
PubChem CID11380674
Molecular FormulaC16H11F3N2
Molecular Weight288.27 g/mol
Exact Mass288.09
IUPAC Name5-[3-[2-(trifluoromethyl)phenyl]phenyl]-1H-imidazole
SMILESFC(F)(F)c1ccccc1-c1cccc(-c2cnc[nH]2)c1
InChIInChI=1S/C16H11F3N2/c17-16(18,19)14-7-2-1-6-13(14)11-4-3-5-12(8-11)15-9-20-10-21-15/h1-10H,(H,20,21)
InChIKeyLOMHDTDKMKKMKY-UHFFFAOYSA-N
XLogP4.76
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.27
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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Detomidine Hydrochloride
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Medetomidine Hydrochloride
CID 68601
Mifentidine
CID 71263
4-Phenylimidazole
CID 69590
4,5-Diphenylimidazole
CID 69588
Detomidine
CID 56032
2-(3-Trifluoromethylphenyl)histamine
CID 5310982
4-benzyl-1H-imidazole
CID 594090
4-(4-fluorophenyl)-1H-imidazole
CID 657876

Frequently Asked Questions

What is the IUPAC name of 5-[3-[2-(trifluoromethyl)phenyl]phenyl]-1H-imidazole?
The IUPAC name of 5-[3-[2-(trifluoromethyl)phenyl]phenyl]-1H-imidazole (CID 11380674) is 5-[3-[2-(trifluoromethyl)phenyl]phenyl]-1H-imidazole.
What is the SMILES notation for 5-[3-[2-(trifluoromethyl)phenyl]phenyl]-1H-imidazole?
The canonical SMILES for 5-[3-[2-(trifluoromethyl)phenyl]phenyl]-1H-imidazole is FC(F)(F)c1ccccc1-c1cccc(-c2cnc[nH]2)c1.
What is the InChIKey of 5-[3-[2-(trifluoromethyl)phenyl]phenyl]-1H-imidazole?
The InChIKey is LOMHDTDKMKKMKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F3N2/c17-16(18,19)14-7-2-1-6-13(14)11-4-3-5-12(8-11)15-9-20-10-21-15/h1-10H,(H,20,21).
What are the key properties of 5-[3-[2-(trifluoromethyl)phenyl]phenyl]-1H-imidazole?
5-[3-[2-(trifluoromethyl)phenyl]phenyl]-1H-imidazole has a molecular weight of 288.27 g/mol, XLogP of 4.76, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[2-(trifluoromethyl)phenyl]phenyl]-1H-imidazole is sourced from PubChem (CID 11380674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).