N-[[2-(trifluoromethyl)phenyl]methyl]-4,5-dihydro-1H-imidazol-2-amine

C11H12F3N3 — CID 44538682

IUPACN-[[2-(trifluoromethyl)phenyl]methyl]-4,5-dihydro-1H-imidazol-2-amine
SMILESFC(F)(F)c1ccccc1CNC1=NCCN1
InChIInChI=1S/C11H12F3N3/c12-11(13,14)9-4-2-1-3-8(9)7-17-10-15-5-6-16-10/h1-4H,5-7H2,(H2,15,16,17)
InChIKeyATXFFHZSLDRXGB-UHFFFAOYSA-N
MW243.23 g/mol
LogP1.75
Rot. Bonds2

About N-[[2-(trifluoromethyl)phenyl]methyl]-4,5-dihydro-1H-imidazol-2-amine

N-[[2-(trifluoromethyl)phenyl]methyl]-4,5-dihydro-1H-imidazol-2-amine (PubChem CID 44538682) has the molecular formula C11H12F3N3 and a molecular weight of 243.23 g/mol. Its IUPAC name is N-[[2-(trifluoromethyl)phenyl]methyl]-4,5-dihydro-1H-imidazol-2-amine.

Molecular Properties

Compound NameN-[[2-(trifluoromethyl)phenyl]methyl]-4,5-dihydro-1H-imidazol-2-amine
PubChem CID44538682
Molecular FormulaC11H12F3N3
Molecular Weight243.23 g/mol
Exact Mass243.10
IUPAC NameN-[[2-(trifluoromethyl)phenyl]methyl]-4,5-dihydro-1H-imidazol-2-amine
SMILESFC(F)(F)c1ccccc1CNC1=NCCN1
InChIInChI=1S/C11H12F3N3/c12-11(13,14)9-4-2-1-3-8(9)7-17-10-15-5-6-16-10/h1-4H,5-7H2,(H2,15,16,17)
InChIKeyATXFFHZSLDRXGB-UHFFFAOYSA-N
XLogP1.75
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.23
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(trifluoromethyl)phenyl]methyl]-4,5-dihydro-1H-imidazol-2-amine?
The IUPAC name of N-[[2-(trifluoromethyl)phenyl]methyl]-4,5-dihydro-1H-imidazol-2-amine (CID 44538682) is N-[[2-(trifluoromethyl)phenyl]methyl]-4,5-dihydro-1H-imidazol-2-amine.
What is the SMILES notation for N-[[2-(trifluoromethyl)phenyl]methyl]-4,5-dihydro-1H-imidazol-2-amine?
The canonical SMILES for N-[[2-(trifluoromethyl)phenyl]methyl]-4,5-dihydro-1H-imidazol-2-amine is FC(F)(F)c1ccccc1CNC1=NCCN1.
What is the InChIKey of N-[[2-(trifluoromethyl)phenyl]methyl]-4,5-dihydro-1H-imidazol-2-amine?
The InChIKey is ATXFFHZSLDRXGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3N3/c12-11(13,14)9-4-2-1-3-8(9)7-17-10-15-5-6-16-10/h1-4H,5-7H2,(H2,15,16,17).
What are the key properties of N-[[2-(trifluoromethyl)phenyl]methyl]-4,5-dihydro-1H-imidazol-2-amine?
N-[[2-(trifluoromethyl)phenyl]methyl]-4,5-dihydro-1H-imidazol-2-amine has a molecular weight of 243.23 g/mol, XLogP of 1.75, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(trifluoromethyl)phenyl]methyl]-4,5-dihydro-1H-imidazol-2-amine is sourced from PubChem (CID 44538682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).