3-[2,4-di(propan-2-yl)-1H-imidazol-5-yl]-1,1,1-trifluoropropan-2-amine

C12H20F3N3 — CID 23343250

IUPAC3-[2,4-di(propan-2-yl)-1H-imidazol-5-yl]-1,1,1-trifluoropropan-2-amine
SMILESCC(C)c1nc(C(C)C)c(CC(N)C(F)(F)F)[nH]1
InChIInChI=1S/C12H20F3N3/c1-6(2)10-8(5-9(16)12(13,14)15)17-11(18-10)7(3)4/h6-7,9H,5,16H2,1-4H3,(H,17,18)
InChIKeyOCRIPWUDZSGOPZ-UHFFFAOYSA-N
MW263.31 g/mol
LogP3.09
Rot. Bonds4

About 3-[2,4-di(propan-2-yl)-1H-imidazol-5-yl]-1,1,1-trifluoropropan-2-amine

3-[2,4-di(propan-2-yl)-1H-imidazol-5-yl]-1,1,1-trifluoropropan-2-amine (PubChem CID 23343250) has the molecular formula C12H20F3N3 and a molecular weight of 263.31 g/mol. Its IUPAC name is 3-[2,4-di(propan-2-yl)-1H-imidazol-5-yl]-1,1,1-trifluoropropan-2-amine.

Molecular Properties

Compound Name3-[2,4-di(propan-2-yl)-1H-imidazol-5-yl]-1,1,1-trifluoropropan-2-amine
PubChem CID23343250
Molecular FormulaC12H20F3N3
Molecular Weight263.31 g/mol
Exact Mass263.16
IUPAC Name3-[2,4-di(propan-2-yl)-1H-imidazol-5-yl]-1,1,1-trifluoropropan-2-amine
SMILESCC(C)c1nc(C(C)C)c(CC(N)C(F)(F)F)[nH]1
InChIInChI=1S/C12H20F3N3/c1-6(2)10-8(5-9(16)12(13,14)15)17-11(18-10)7(3)4/h6-7,9H,5,16H2,1-4H3,(H,17,18)
InChIKeyOCRIPWUDZSGOPZ-UHFFFAOYSA-N
XLogP3.09
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.31
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[2,4-di(propan-2-yl)-1H-imidazol-5-yl]-1,1,1-trifluoropropan-2-amine?
The IUPAC name of 3-[2,4-di(propan-2-yl)-1H-imidazol-5-yl]-1,1,1-trifluoropropan-2-amine (CID 23343250) is 3-[2,4-di(propan-2-yl)-1H-imidazol-5-yl]-1,1,1-trifluoropropan-2-amine.
What is the SMILES notation for 3-[2,4-di(propan-2-yl)-1H-imidazol-5-yl]-1,1,1-trifluoropropan-2-amine?
The canonical SMILES for 3-[2,4-di(propan-2-yl)-1H-imidazol-5-yl]-1,1,1-trifluoropropan-2-amine is CC(C)c1nc(C(C)C)c(CC(N)C(F)(F)F)[nH]1.
What is the InChIKey of 3-[2,4-di(propan-2-yl)-1H-imidazol-5-yl]-1,1,1-trifluoropropan-2-amine?
The InChIKey is OCRIPWUDZSGOPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F3N3/c1-6(2)10-8(5-9(16)12(13,14)15)17-11(18-10)7(3)4/h6-7,9H,5,16H2,1-4H3,(H,17,18).
What are the key properties of 3-[2,4-di(propan-2-yl)-1H-imidazol-5-yl]-1,1,1-trifluoropropan-2-amine?
3-[2,4-di(propan-2-yl)-1H-imidazol-5-yl]-1,1,1-trifluoropropan-2-amine has a molecular weight of 263.31 g/mol, XLogP of 3.09, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2,4-di(propan-2-yl)-1H-imidazol-5-yl]-1,1,1-trifluoropropan-2-amine is sourced from PubChem (CID 23343250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).