4-tert-butyl-1-phenyl-2-(trifluoromethyl)imidazole

C14H15F3N2 — CID 177106243

IUPAC4-tert-butyl-1-phenyl-2-(trifluoromethyl)imidazole
SMILESCC(C)(C)c1cn(-c2ccccc2)c(C(F)(F)F)n1
InChIInChI=1S/C14H15F3N2/c1-13(2,3)11-9-19(10-7-5-4-6-8-10)12(18-11)14(15,16)17/h4-9H,1-3H3
InChIKeyJNFWRDODWMKLFC-UHFFFAOYSA-N
MW268.28 g/mol
LogP4.19
Rot. Bonds1

About 4-tert-butyl-1-phenyl-2-(trifluoromethyl)imidazole

4-tert-butyl-1-phenyl-2-(trifluoromethyl)imidazole (PubChem CID 177106243) has the molecular formula C14H15F3N2 and a molecular weight of 268.28 g/mol. Its IUPAC name is 4-tert-butyl-1-phenyl-2-(trifluoromethyl)imidazole.

Molecular Properties

Compound Name4-tert-butyl-1-phenyl-2-(trifluoromethyl)imidazole
PubChem CID177106243
Molecular FormulaC14H15F3N2
Molecular Weight268.28 g/mol
Exact Mass268.12
IUPAC Name4-tert-butyl-1-phenyl-2-(trifluoromethyl)imidazole
SMILESCC(C)(C)c1cn(-c2ccccc2)c(C(F)(F)F)n1
InChIInChI=1S/C14H15F3N2/c1-13(2,3)11-9-19(10-7-5-4-6-8-10)12(18-11)14(15,16)17/h4-9H,1-3H3
InChIKeyJNFWRDODWMKLFC-UHFFFAOYSA-N
XLogP4.19
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.28
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-[4-tert-butyl-2-(trifluoromethyl)imidazol-1-yl]-1H-indazole
CID 172744174
ethyl 1-phenyl-2-(trifluoromethyl)imidazole-4-carboxylate
CID 170628931
4-tert-butyl-2-(1,1-difluoroethyl)-1-methylimidazole
CID 160553829
2-methyl-1-(4-methylphenyl)-4-(trifluoromethyl)imidazole
CID 67818870
1-phenyl-2-[1-phenyl-4-(2-pyrrol-1-id-2-ylpropan-2-yl)imidazol-2-yl]-4-(2-pyrrol-1-id-2-ylpropan-2-yl)imidazole;platinum(2+)
CID 58831083
2-tert-butyl-5-phenyl-7H-imidazo[1,2-c]imidazole
CID 163551870
4-methyl-1-phenyl-2-(trifluoromethyl)pyrrole
CID 123412423
2-tert-butyl-1-methyl-4-(trifluoromethyl)imidazole
CID 15500426
ethane;1-(4-methylsulfonylphenyl)-2-phenyl-4-(trifluoromethyl)imidazole
CID 143007243
1-phenyl-5-(trifluoromethyl)tetrazole
CID 11206655
3-methyl-2-(trifluoromethyl)benzimidazol-4-amine
CID 84680783
4-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]benzenesulfonamide
CID 142958900

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-1-phenyl-2-(trifluoromethyl)imidazole?
The IUPAC name of 4-tert-butyl-1-phenyl-2-(trifluoromethyl)imidazole (CID 177106243) is 4-tert-butyl-1-phenyl-2-(trifluoromethyl)imidazole.
What is the SMILES notation for 4-tert-butyl-1-phenyl-2-(trifluoromethyl)imidazole?
The canonical SMILES for 4-tert-butyl-1-phenyl-2-(trifluoromethyl)imidazole is CC(C)(C)c1cn(-c2ccccc2)c(C(F)(F)F)n1.
What is the InChIKey of 4-tert-butyl-1-phenyl-2-(trifluoromethyl)imidazole?
The InChIKey is JNFWRDODWMKLFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N2/c1-13(2,3)11-9-19(10-7-5-4-6-8-10)12(18-11)14(15,16)17/h4-9H,1-3H3.
What are the key properties of 4-tert-butyl-1-phenyl-2-(trifluoromethyl)imidazole?
4-tert-butyl-1-phenyl-2-(trifluoromethyl)imidazole has a molecular weight of 268.28 g/mol, XLogP of 4.19, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-1-phenyl-2-(trifluoromethyl)imidazole is sourced from PubChem (CID 177106243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).