2-tert-butyl-1,4-di(propan-2-yl)-5-(trifluoromethyl)imidazole

C14H23F3N2 — CID 169322207

IUPAC2-tert-butyl-1,4-di(propan-2-yl)-5-(trifluoromethyl)imidazole
SMILESCC(C)c1nc(C(C)(C)C)n(C(C)C)c1C(F)(F)F
InChIInChI=1S/C14H23F3N2/c1-8(2)10-11(14(15,16)17)19(9(3)4)12(18-10)13(5,6)7/h8-9H,1-7H3
InChIKeyZYNXTVXRGJDYON-UHFFFAOYSA-N
MW276.35 g/mol
LogP4.90
Rot. Bonds2

About 2-tert-butyl-1,4-di(propan-2-yl)-5-(trifluoromethyl)imidazole

2-tert-butyl-1,4-di(propan-2-yl)-5-(trifluoromethyl)imidazole (PubChem CID 169322207) has the molecular formula C14H23F3N2 and a molecular weight of 276.35 g/mol. Its IUPAC name is 2-tert-butyl-1,4-di(propan-2-yl)-5-(trifluoromethyl)imidazole.

Molecular Properties

Compound Name2-tert-butyl-1,4-di(propan-2-yl)-5-(trifluoromethyl)imidazole
PubChem CID169322207
Molecular FormulaC14H23F3N2
Molecular Weight276.35 g/mol
Exact Mass276.18
IUPAC Name2-tert-butyl-1,4-di(propan-2-yl)-5-(trifluoromethyl)imidazole
SMILESCC(C)c1nc(C(C)(C)C)n(C(C)C)c1C(F)(F)F
InChIInChI=1S/C14H23F3N2/c1-8(2)10-11(14(15,16)17)19(9(3)4)12(18-10)13(5,6)7/h8-9H,1-7H3
InChIKeyZYNXTVXRGJDYON-UHFFFAOYSA-N
XLogP4.90
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.35
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-1,4-di(propan-2-yl)-5-(trifluoromethyl)imidazole?
The IUPAC name of 2-tert-butyl-1,4-di(propan-2-yl)-5-(trifluoromethyl)imidazole (CID 169322207) is 2-tert-butyl-1,4-di(propan-2-yl)-5-(trifluoromethyl)imidazole.
What is the SMILES notation for 2-tert-butyl-1,4-di(propan-2-yl)-5-(trifluoromethyl)imidazole?
The canonical SMILES for 2-tert-butyl-1,4-di(propan-2-yl)-5-(trifluoromethyl)imidazole is CC(C)c1nc(C(C)(C)C)n(C(C)C)c1C(F)(F)F.
What is the InChIKey of 2-tert-butyl-1,4-di(propan-2-yl)-5-(trifluoromethyl)imidazole?
The InChIKey is ZYNXTVXRGJDYON-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23F3N2/c1-8(2)10-11(14(15,16)17)19(9(3)4)12(18-10)13(5,6)7/h8-9H,1-7H3.
What are the key properties of 2-tert-butyl-1,4-di(propan-2-yl)-5-(trifluoromethyl)imidazole?
2-tert-butyl-1,4-di(propan-2-yl)-5-(trifluoromethyl)imidazole has a molecular weight of 276.35 g/mol, XLogP of 4.90, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-1,4-di(propan-2-yl)-5-(trifluoromethyl)imidazole is sourced from PubChem (CID 169322207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).