N-[2-chloro-3-(trifluoromethyl)phenyl]-4,5-dihydro-1H-imidazol-2-amine

C10H9ClF3N3 — CID 54026459

IUPACN-[2-chloro-3-(trifluoromethyl)phenyl]-4,5-dihydro-1H-imidazol-2-amine
SMILESFC(F)(F)c1cccc(NC2=NCCN2)c1Cl
InChIInChI=1S/C10H9ClF3N3/c11-8-6(10(12,13)14)2-1-3-7(8)17-9-15-4-5-16-9/h1-3H,4-5H2,(H2,15,16,17)
InChIKeyLCNJAWLXJDFXLP-UHFFFAOYSA-N
MW263.65 g/mol
LogP2.73
Rot. Bonds1

About N-[2-chloro-3-(trifluoromethyl)phenyl]-4,5-dihydro-1H-imidazol-2-amine

N-[2-chloro-3-(trifluoromethyl)phenyl]-4,5-dihydro-1H-imidazol-2-amine (PubChem CID 54026459) has the molecular formula C10H9ClF3N3 and a molecular weight of 263.65 g/mol. Its IUPAC name is N-[2-chloro-3-(trifluoromethyl)phenyl]-4,5-dihydro-1H-imidazol-2-amine.

Molecular Properties

Compound NameN-[2-chloro-3-(trifluoromethyl)phenyl]-4,5-dihydro-1H-imidazol-2-amine
PubChem CID54026459
Molecular FormulaC10H9ClF3N3
Molecular Weight263.65 g/mol
Exact Mass263.04
IUPAC NameN-[2-chloro-3-(trifluoromethyl)phenyl]-4,5-dihydro-1H-imidazol-2-amine
SMILESFC(F)(F)c1cccc(NC2=NCCN2)c1Cl
InChIInChI=1S/C10H9ClF3N3/c11-8-6(10(12,13)14)2-1-3-7(8)17-9-15-4-5-16-9/h1-3H,4-5H2,(H2,15,16,17)
InChIKeyLCNJAWLXJDFXLP-UHFFFAOYSA-N
XLogP2.73
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.65
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-3-(trifluoromethyl)phenyl]-4,5-dihydro-1H-imidazol-2-amine?
The IUPAC name of N-[2-chloro-3-(trifluoromethyl)phenyl]-4,5-dihydro-1H-imidazol-2-amine (CID 54026459) is N-[2-chloro-3-(trifluoromethyl)phenyl]-4,5-dihydro-1H-imidazol-2-amine.
What is the SMILES notation for N-[2-chloro-3-(trifluoromethyl)phenyl]-4,5-dihydro-1H-imidazol-2-amine?
The canonical SMILES for N-[2-chloro-3-(trifluoromethyl)phenyl]-4,5-dihydro-1H-imidazol-2-amine is FC(F)(F)c1cccc(NC2=NCCN2)c1Cl.
What is the InChIKey of N-[2-chloro-3-(trifluoromethyl)phenyl]-4,5-dihydro-1H-imidazol-2-amine?
The InChIKey is LCNJAWLXJDFXLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClF3N3/c11-8-6(10(12,13)14)2-1-3-7(8)17-9-15-4-5-16-9/h1-3H,4-5H2,(H2,15,16,17).
What are the key properties of N-[2-chloro-3-(trifluoromethyl)phenyl]-4,5-dihydro-1H-imidazol-2-amine?
N-[2-chloro-3-(trifluoromethyl)phenyl]-4,5-dihydro-1H-imidazol-2-amine has a molecular weight of 263.65 g/mol, XLogP of 2.73, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-3-(trifluoromethyl)phenyl]-4,5-dihydro-1H-imidazol-2-amine is sourced from PubChem (CID 54026459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).