tert-butyl (4R)-2-phenyl-4-(trifluoromethyl)-4,5-dihydroimidazole-1-carboxylate

C15H17F3N2O2 — CID 53328284

IUPACtert-butyl (4R)-2-phenyl-4-(trifluoromethyl)-4,5-dihydroimidazole-1-carboxylate
SMILESCC(C)(C)OC(=O)N1C[C@H](C(F)(F)F)N=C1c1ccccc1
InChIInChI=1S/C15H17F3N2O2/c1-14(2,3)22-13(21)20-9-11(15(16,17)18)19-12(20)10-7-5-4-6-8-10/h4-8,11H,9H2,1-3H3/t11-/m1/s1
InChIKeyBQNHZJZMISFEIM-LLVKDONJSA-N
MW314.31 g/mol
LogP3.61
Rot. Bonds1

About tert-butyl (4R)-2-phenyl-4-(trifluoromethyl)-4,5-dihydroimidazole-1-carboxylate

tert-butyl (4R)-2-phenyl-4-(trifluoromethyl)-4,5-dihydroimidazole-1-carboxylate (PubChem CID 53328284) has the molecular formula C15H17F3N2O2 and a molecular weight of 314.31 g/mol. Its IUPAC name is tert-butyl (4R)-2-phenyl-4-(trifluoromethyl)-4,5-dihydroimidazole-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (4R)-2-phenyl-4-(trifluoromethyl)-4,5-dihydroimidazole-1-carboxylate
PubChem CID53328284
Molecular FormulaC15H17F3N2O2
Molecular Weight314.31 g/mol
Exact Mass314.12
IUPAC Nametert-butyl (4R)-2-phenyl-4-(trifluoromethyl)-4,5-dihydroimidazole-1-carboxylate
SMILESCC(C)(C)OC(=O)N1C[C@H](C(F)(F)F)N=C1c1ccccc1
InChIInChI=1S/C15H17F3N2O2/c1-14(2,3)22-13(21)20-9-11(15(16,17)18)19-12(20)10-7-5-4-6-8-10/h4-8,11H,9H2,1-3H3/t11-/m1/s1
InChIKeyBQNHZJZMISFEIM-LLVKDONJSA-N
XLogP3.61
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.31
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 2-phenyl-5,6-dihydro-4H-pyrimidine-1-carboxylate
CID 71814999
t-Butyl (5-oxo-4-trifluoromethyl-2-phenyl-4,5-dihydro-1h-imidazol-4-yl)carbamate
CID 129769308
tert-butyl 4-[(E)-C-phenyl-N-(trifluoromethyl)carbonimidoyl]piperazine-1-carboxylate
CID 176438508
Tert-butyl 2-(4-bromophenyl)-4,5-dihydroimidazole-1-carboxylate
CID 66942887
5-Hydroxy-2-phenyl-3-propyl-5-(trifluoromethyl)imidazol-4-one
CID 2996846
3-methyl-2-phenyl-5-(trifluoromethyl)-4H-imidazol-5-ol
CID 11021114
ethyl [5-oxo-2-phenyl-1-propyl-4-(trifluoromethyl)-4,5-dihydro-1H-imidazol-4-yl]carbamate
CID 16764166
ethyl [5-oxo-2-phenyl-1-(prop-2-en-1-yl)-4-(trifluoromethyl)-4,5-dihydro-1H-imidazol-4-yl]carbamate
CID 16764168
1-Methyl-2-phenyl-4-(trifluoromethyl)-4,5-dihydroimidazole
CID 21052064
2-(3,4-Difluorophenyl)-4,5-dihydroimidazole-1-carboxylic acid
CID 22729449
Ethyl 2-(2,6-difluorophenyl)-4,5-dihydroimidazole-1-carboxylate
CID 54205901
tert-butyl N-(1-benzylpyrrolidin-3-yl)-N-(2,2,2-trifluoroethyl)carbamate
CID 57164663

Frequently Asked Questions

What is the IUPAC name of tert-butyl (4R)-2-phenyl-4-(trifluoromethyl)-4,5-dihydroimidazole-1-carboxylate?
The IUPAC name of tert-butyl (4R)-2-phenyl-4-(trifluoromethyl)-4,5-dihydroimidazole-1-carboxylate (CID 53328284) is tert-butyl (4R)-2-phenyl-4-(trifluoromethyl)-4,5-dihydroimidazole-1-carboxylate.
What is the SMILES notation for tert-butyl (4R)-2-phenyl-4-(trifluoromethyl)-4,5-dihydroimidazole-1-carboxylate?
The canonical SMILES for tert-butyl (4R)-2-phenyl-4-(trifluoromethyl)-4,5-dihydroimidazole-1-carboxylate is CC(C)(C)OC(=O)N1C[C@H](C(F)(F)F)N=C1c1ccccc1.
What is the InChIKey of tert-butyl (4R)-2-phenyl-4-(trifluoromethyl)-4,5-dihydroimidazole-1-carboxylate?
The InChIKey is BQNHZJZMISFEIM-LLVKDONJSA-N. The full InChI is InChI=1S/C15H17F3N2O2/c1-14(2,3)22-13(21)20-9-11(15(16,17)18)19-12(20)10-7-5-4-6-8-10/h4-8,11H,9H2,1-3H3/t11-/m1/s1.
What are the key properties of tert-butyl (4R)-2-phenyl-4-(trifluoromethyl)-4,5-dihydroimidazole-1-carboxylate?
tert-butyl (4R)-2-phenyl-4-(trifluoromethyl)-4,5-dihydroimidazole-1-carboxylate has a molecular weight of 314.31 g/mol, XLogP of 3.61, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (4R)-2-phenyl-4-(trifluoromethyl)-4,5-dihydroimidazole-1-carboxylate is sourced from PubChem (CID 53328284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).