N-[4-fluoro-3-(trifluoromethyl)phenyl]-4-methyl-1-propan-2-ylimidazol-2-amine

C14H15F4N3 — CID 106563756

IUPACN-[4-fluoro-3-(trifluoromethyl)phenyl]-4-methyl-1-propan-2-ylimidazol-2-amine
SMILESCc1cn(C(C)C)c(Nc2ccc(F)c(C(F)(F)F)c2)n1
InChIInChI=1S/C14H15F4N3/c1-8(2)21-7-9(3)19-13(21)20-10-4-5-12(15)11(6-10)14(16,17)18/h4-8H,1-3H3,(H,19,20)
InChIKeyOGILZYBNRXOYKY-UHFFFAOYSA-N
MW301.29 g/mol
LogP4.67
Rot. Bonds3

About N-[4-fluoro-3-(trifluoromethyl)phenyl]-4-methyl-1-propan-2-ylimidazol-2-amine

N-[4-fluoro-3-(trifluoromethyl)phenyl]-4-methyl-1-propan-2-ylimidazol-2-amine (PubChem CID 106563756) has the molecular formula C14H15F4N3 and a molecular weight of 301.29 g/mol. Its IUPAC name is N-[4-fluoro-3-(trifluoromethyl)phenyl]-4-methyl-1-propan-2-ylimidazol-2-amine.

Molecular Properties

Compound NameN-[4-fluoro-3-(trifluoromethyl)phenyl]-4-methyl-1-propan-2-ylimidazol-2-amine
PubChem CID106563756
Molecular FormulaC14H15F4N3
Molecular Weight301.29 g/mol
Exact Mass301.12
IUPAC NameN-[4-fluoro-3-(trifluoromethyl)phenyl]-4-methyl-1-propan-2-ylimidazol-2-amine
SMILESCc1cn(C(C)C)c(Nc2ccc(F)c(C(F)(F)F)c2)n1
InChIInChI=1S/C14H15F4N3/c1-8(2)21-7-9(3)19-13(21)20-10-4-5-12(15)11(6-10)14(16,17)18/h4-8H,1-3H3,(H,19,20)
InChIKeyOGILZYBNRXOYKY-UHFFFAOYSA-N
XLogP4.67
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.29
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-fluoro-3-(trifluoromethyl)phenyl]-4-methyl-1-propan-2-ylimidazol-2-amine?
The IUPAC name of N-[4-fluoro-3-(trifluoromethyl)phenyl]-4-methyl-1-propan-2-ylimidazol-2-amine (CID 106563756) is N-[4-fluoro-3-(trifluoromethyl)phenyl]-4-methyl-1-propan-2-ylimidazol-2-amine.
What is the SMILES notation for N-[4-fluoro-3-(trifluoromethyl)phenyl]-4-methyl-1-propan-2-ylimidazol-2-amine?
The canonical SMILES for N-[4-fluoro-3-(trifluoromethyl)phenyl]-4-methyl-1-propan-2-ylimidazol-2-amine is Cc1cn(C(C)C)c(Nc2ccc(F)c(C(F)(F)F)c2)n1.
What is the InChIKey of N-[4-fluoro-3-(trifluoromethyl)phenyl]-4-methyl-1-propan-2-ylimidazol-2-amine?
The InChIKey is OGILZYBNRXOYKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F4N3/c1-8(2)21-7-9(3)19-13(21)20-10-4-5-12(15)11(6-10)14(16,17)18/h4-8H,1-3H3,(H,19,20).
What are the key properties of N-[4-fluoro-3-(trifluoromethyl)phenyl]-4-methyl-1-propan-2-ylimidazol-2-amine?
N-[4-fluoro-3-(trifluoromethyl)phenyl]-4-methyl-1-propan-2-ylimidazol-2-amine has a molecular weight of 301.29 g/mol, XLogP of 4.67, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-fluoro-3-(trifluoromethyl)phenyl]-4-methyl-1-propan-2-ylimidazol-2-amine is sourced from PubChem (CID 106563756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).