5-methyl-2-phenyl-4-[3-(trifluoromethyl)phenyl]-1H-imidazole

C17H13F3N2 — CID 153289392

IUPAC5-methyl-2-phenyl-4-[3-(trifluoromethyl)phenyl]-1H-imidazole
SMILESCc1[nH]c(-c2ccccc2)nc1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C17H13F3N2/c1-11-15(13-8-5-9-14(10-13)17(18,19)20)22-16(21-11)12-6-3-2-4-7-12/h2-10H,1H3,(H,21,22)
InChIKeyZLUULJJOXMIKJW-UHFFFAOYSA-N
MW302.30 g/mol
LogP5.07
Rot. Bonds2

About 5-methyl-2-phenyl-4-[3-(trifluoromethyl)phenyl]-1H-imidazole

5-methyl-2-phenyl-4-[3-(trifluoromethyl)phenyl]-1H-imidazole (PubChem CID 153289392) has the molecular formula C17H13F3N2 and a molecular weight of 302.30 g/mol. Its IUPAC name is 5-methyl-2-phenyl-4-[3-(trifluoromethyl)phenyl]-1H-imidazole.

Molecular Properties

Compound Name5-methyl-2-phenyl-4-[3-(trifluoromethyl)phenyl]-1H-imidazole
PubChem CID153289392
Molecular FormulaC17H13F3N2
Molecular Weight302.30 g/mol
Exact Mass302.10
IUPAC Name5-methyl-2-phenyl-4-[3-(trifluoromethyl)phenyl]-1H-imidazole
SMILESCc1[nH]c(-c2ccccc2)nc1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C17H13F3N2/c1-11-15(13-8-5-9-14(10-13)17(18,19)20)22-16(21-11)12-6-3-2-4-7-12/h2-10H,1H3,(H,21,22)
InChIKeyZLUULJJOXMIKJW-UHFFFAOYSA-N
XLogP5.07
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.30
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-methyl-2-[3-[[4-[5-methyl-2-[3-(trifluoromethyl)phenyl]-1H-imidazol-4-yl]phenyl]methyl]phenyl]-4-phenyl-1H-imidazole
CID 142406867
2-(3,5-dichlorophenyl)-5-methyl-4-phenyl-1H-imidazole
CID 23103031
4,5-diiodo-2-[3-(trifluoromethyl)phenyl]-1H-imidazole
CID 67133332
[3-(5-methyl-4-phenyl-1H-imidazol-2-yl)phenyl]methanamine
CID 103386831
2,3,5-trifluoro-6-[3-(trifluoromethyl)phenyl]pyridine
CID 118803789
2,5-diphenyl-1H-imidazole;5-methyl-2,4-diphenyl-1H-imidazole
CID 67847310
5-(4-fluorophenyl)-4-(4-methylsulfonylphenyl)-2-[3-(trifluoromethyl)phenyl]-1H-imidazole
CID 142636183
2-methyl-4-(trifluoromethyl)-1-[3-(trifluoromethyl)phenyl]benzene
CID 134627753
6-[diphenyl-[6-[3-(trifluoromethyl)phenyl]-5-[4-(trifluoromethyl)phenyl]-2-pyridinyl]methyl]-2-(3-methylphenyl)-3-(4-methylphenyl)pyridine
CID 160557057
2-[5-[4-(1,1-difluoroethyl)phenyl]furan-2-yl]-5-methyl-4-phenyl-1H-imidazole
CID 145093347
5,6-difluoro-2-[3-(trifluoromethyl)phenyl]-1H-benzimidazole
CID 60980278
4-(4-fluorophenyl)-2-phenyl-5-[4-(trifluoromethyl)phenyl]-1H-imidazole
CID 102333222

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-phenyl-4-[3-(trifluoromethyl)phenyl]-1H-imidazole?
The IUPAC name of 5-methyl-2-phenyl-4-[3-(trifluoromethyl)phenyl]-1H-imidazole (CID 153289392) is 5-methyl-2-phenyl-4-[3-(trifluoromethyl)phenyl]-1H-imidazole.
What is the SMILES notation for 5-methyl-2-phenyl-4-[3-(trifluoromethyl)phenyl]-1H-imidazole?
The canonical SMILES for 5-methyl-2-phenyl-4-[3-(trifluoromethyl)phenyl]-1H-imidazole is Cc1[nH]c(-c2ccccc2)nc1-c1cccc(C(F)(F)F)c1.
What is the InChIKey of 5-methyl-2-phenyl-4-[3-(trifluoromethyl)phenyl]-1H-imidazole?
The InChIKey is ZLUULJJOXMIKJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F3N2/c1-11-15(13-8-5-9-14(10-13)17(18,19)20)22-16(21-11)12-6-3-2-4-7-12/h2-10H,1H3,(H,21,22).
What are the key properties of 5-methyl-2-phenyl-4-[3-(trifluoromethyl)phenyl]-1H-imidazole?
5-methyl-2-phenyl-4-[3-(trifluoromethyl)phenyl]-1H-imidazole has a molecular weight of 302.30 g/mol, XLogP of 5.07, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-phenyl-4-[3-(trifluoromethyl)phenyl]-1H-imidazole is sourced from PubChem (CID 153289392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).