(4R)-4-tert-butyl-1-[4-(trifluoromethyl)phenyl]-4,5-dihydroimidazole

C14H17F3N2 — CID 102402293

IUPAC(4R)-4-tert-butyl-1-[4-(trifluoromethyl)phenyl]-4,5-dihydroimidazole
SMILESCC(C)(C)[C@@H]1CN(c2ccc(C(F)(F)F)cc2)C=N1
InChIInChI=1S/C14H17F3N2/c1-13(2,3)12-8-19(9-18-12)11-6-4-10(5-7-11)14(15,16)17/h4-7,9,12H,8H2,1-3H3/t12-/m0/s1
InChIKeyUWTOVGUYSVLVFT-LBPRGKRZSA-N
MW270.30 g/mol
LogP3.97
Rot. Bonds1

About (4R)-4-tert-butyl-1-[4-(trifluoromethyl)phenyl]-4,5-dihydroimidazole

(4R)-4-tert-butyl-1-[4-(trifluoromethyl)phenyl]-4,5-dihydroimidazole (PubChem CID 102402293) has the molecular formula C14H17F3N2 and a molecular weight of 270.30 g/mol. Its IUPAC name is (4R)-4-tert-butyl-1-[4-(trifluoromethyl)phenyl]-4,5-dihydroimidazole.

Molecular Properties

Compound Name(4R)-4-tert-butyl-1-[4-(trifluoromethyl)phenyl]-4,5-dihydroimidazole
PubChem CID102402293
Molecular FormulaC14H17F3N2
Molecular Weight270.30 g/mol
Exact Mass270.13
IUPAC Name(4R)-4-tert-butyl-1-[4-(trifluoromethyl)phenyl]-4,5-dihydroimidazole
SMILESCC(C)(C)[C@@H]1CN(c2ccc(C(F)(F)F)cc2)C=N1
InChIInChI=1S/C14H17F3N2/c1-13(2,3)12-8-19(9-18-12)11-6-4-10(5-7-11)14(15,16)17/h4-7,9,12H,8H2,1-3H3/t12-/m0/s1
InChIKeyUWTOVGUYSVLVFT-LBPRGKRZSA-N
XLogP3.97
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.30
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4R)-4-tert-butyl-2-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazole
CID 154718154
2,6-dimethyl-4-[4-(trifluoromethyl)phenyl]morpholine
CID 171714626
5-tert-butyl-1-[4-(trifluoromethyl)phenyl]pyrrolidin-2-one
CID 67953096
1-(4-tert-butylphenyl)-2,3-dihydropyrrole
CID 157298735
(2S)-2,5-dimethyl-1-[4-(trifluoromethyl)phenyl]piperazine
CID 70804072
2,5-dimethyl-1-[4-(trifluoromethyl)phenyl]piperazine
CID 11565121
2-methyl-2-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]propan-1-amine
CID 63339792
5-cyclopropyl-2-methyl-1-[4-(trifluoromethyl)phenyl]piperazine
CID 64932560
4-methyl-1-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-4-ium
CID 134453793
N-methyl-1-[4-(trifluoromethyl)phenyl]imidazol-2-amine
CID 106557098
(2R)-1-[4-(trifluoromethyl)phenyl]aziridine-2-carboxylic acid
CID 135081163
(3S)-1-[4-(trifluoromethyl)phenyl]pyrrolidin-3-amine
CID 18725667

Frequently Asked Questions

What is the IUPAC name of (4R)-4-tert-butyl-1-[4-(trifluoromethyl)phenyl]-4,5-dihydroimidazole?
The IUPAC name of (4R)-4-tert-butyl-1-[4-(trifluoromethyl)phenyl]-4,5-dihydroimidazole (CID 102402293) is (4R)-4-tert-butyl-1-[4-(trifluoromethyl)phenyl]-4,5-dihydroimidazole.
What is the SMILES notation for (4R)-4-tert-butyl-1-[4-(trifluoromethyl)phenyl]-4,5-dihydroimidazole?
The canonical SMILES for (4R)-4-tert-butyl-1-[4-(trifluoromethyl)phenyl]-4,5-dihydroimidazole is CC(C)(C)[C@@H]1CN(c2ccc(C(F)(F)F)cc2)C=N1.
What is the InChIKey of (4R)-4-tert-butyl-1-[4-(trifluoromethyl)phenyl]-4,5-dihydroimidazole?
The InChIKey is UWTOVGUYSVLVFT-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H17F3N2/c1-13(2,3)12-8-19(9-18-12)11-6-4-10(5-7-11)14(15,16)17/h4-7,9,12H,8H2,1-3H3/t12-/m0/s1.
What are the key properties of (4R)-4-tert-butyl-1-[4-(trifluoromethyl)phenyl]-4,5-dihydroimidazole?
(4R)-4-tert-butyl-1-[4-(trifluoromethyl)phenyl]-4,5-dihydroimidazole has a molecular weight of 270.30 g/mol, XLogP of 3.97, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-tert-butyl-1-[4-(trifluoromethyl)phenyl]-4,5-dihydroimidazole is sourced from PubChem (CID 102402293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).