2-[2-[2-phenyl-4-(trifluoromethyl)phenyl]ethyl]-1H-imidazole

C18H15F3N2 — CID 90878171

IUPAC2-[2-[2-phenyl-4-(trifluoromethyl)phenyl]ethyl]-1H-imidazole
SMILESFC(F)(F)c1ccc(CCc2ncc[nH]2)c(-c2ccccc2)c1
InChIInChI=1S/C18H15F3N2/c19-18(20,21)15-8-6-14(7-9-17-22-10-11-23-17)16(12-15)13-4-2-1-3-5-13/h1-6,8,10-12H,7,9H2,(H,22,23)
InChIKeyCHEUUAGYXDXJPI-UHFFFAOYSA-N
MW316.33 g/mol
LogP4.88
Rot. Bonds4

About 2-[2-[2-phenyl-4-(trifluoromethyl)phenyl]ethyl]-1H-imidazole

2-[2-[2-phenyl-4-(trifluoromethyl)phenyl]ethyl]-1H-imidazole (PubChem CID 90878171) has the molecular formula C18H15F3N2 and a molecular weight of 316.33 g/mol. Its IUPAC name is 2-[2-[2-phenyl-4-(trifluoromethyl)phenyl]ethyl]-1H-imidazole.

Molecular Properties

Compound Name2-[2-[2-phenyl-4-(trifluoromethyl)phenyl]ethyl]-1H-imidazole
PubChem CID90878171
Molecular FormulaC18H15F3N2
Molecular Weight316.33 g/mol
Exact Mass316.12
IUPAC Name2-[2-[2-phenyl-4-(trifluoromethyl)phenyl]ethyl]-1H-imidazole
SMILESFC(F)(F)c1ccc(CCc2ncc[nH]2)c(-c2ccccc2)c1
InChIInChI=1S/C18H15F3N2/c19-18(20,21)15-8-6-14(7-9-17-22-10-11-23-17)16(12-15)13-4-2-1-3-5-13/h1-6,8,10-12H,7,9H2,(H,22,23)
InChIKeyCHEUUAGYXDXJPI-UHFFFAOYSA-N
XLogP4.88
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.33
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(1,2,3,4-Tetrahydro-1-naphthalenyl)-1H-imidazole
CID 17804479
2-Benzyl-1h-imidazole
CID 240539
4-Biphenyl-3-ylmethyl-1H-imidazole
CID 24738376
2-(naphthalen-1-ylmethyl)-1H-imidazole;hydrochloride
CID 45262937
2-(1-naphthalen-1-ylethyl)-1H-imidazole;hydrochloride
CID 45265432
2-Phenyl-4-[3-(trifluoromethyl)phenyl]-1H-imidazole
CID 11818545
2-[(1-methyl-3,4-dihydronaphthalen-2-yl)methyl]-1H-imidazole
CID 13491484
2-[(2,6-dimethylphenyl)methyl]-1H-imidazole
CID 15581127
2-(2,6-diethyl-benzyl)-1H-imidazole
CID 24781869
2-(2,3-dihydro-1H-inden-1-yl)-1H-imidazole
CID 44449338
2-(2,6-Diisopropyl-benzyl)-1H-imidazole
CID 58951824
2-(3-(trifluoromethyl)phenyl)-1H-imidazole
CID 15892560

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-phenyl-4-(trifluoromethyl)phenyl]ethyl]-1H-imidazole?
The IUPAC name of 2-[2-[2-phenyl-4-(trifluoromethyl)phenyl]ethyl]-1H-imidazole (CID 90878171) is 2-[2-[2-phenyl-4-(trifluoromethyl)phenyl]ethyl]-1H-imidazole.
What is the SMILES notation for 2-[2-[2-phenyl-4-(trifluoromethyl)phenyl]ethyl]-1H-imidazole?
The canonical SMILES for 2-[2-[2-phenyl-4-(trifluoromethyl)phenyl]ethyl]-1H-imidazole is FC(F)(F)c1ccc(CCc2ncc[nH]2)c(-c2ccccc2)c1.
What is the InChIKey of 2-[2-[2-phenyl-4-(trifluoromethyl)phenyl]ethyl]-1H-imidazole?
The InChIKey is CHEUUAGYXDXJPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F3N2/c19-18(20,21)15-8-6-14(7-9-17-22-10-11-23-17)16(12-15)13-4-2-1-3-5-13/h1-6,8,10-12H,7,9H2,(H,22,23).
What are the key properties of 2-[2-[2-phenyl-4-(trifluoromethyl)phenyl]ethyl]-1H-imidazole?
2-[2-[2-phenyl-4-(trifluoromethyl)phenyl]ethyl]-1H-imidazole has a molecular weight of 316.33 g/mol, XLogP of 4.88, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-phenyl-4-(trifluoromethyl)phenyl]ethyl]-1H-imidazole is sourced from PubChem (CID 90878171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).