1-[3-[2-chloro-6-(trifluoromethyl)phenyl]imidazol-4-yl]ethanamine

C12H11ClF3N3 — CID 114703991

IUPAC1-[3-[2-chloro-6-(trifluoromethyl)phenyl]imidazol-4-yl]ethanamine
SMILESCC(N)c1cncn1-c1c(Cl)cccc1C(F)(F)F
InChIInChI=1S/C12H11ClF3N3/c1-7(17)10-5-18-6-19(10)11-8(12(14,15)16)3-2-4-9(11)13/h2-7H,17H2,1H3
InChIKeyJFIGZHVQLFJREP-UHFFFAOYSA-N
MW289.69 g/mol
LogP3.56
Rot. Bonds2

About 1-[3-[2-chloro-6-(trifluoromethyl)phenyl]imidazol-4-yl]ethanamine

1-[3-[2-chloro-6-(trifluoromethyl)phenyl]imidazol-4-yl]ethanamine (PubChem CID 114703991) has the molecular formula C12H11ClF3N3 and a molecular weight of 289.69 g/mol. Its IUPAC name is 1-[3-[2-chloro-6-(trifluoromethyl)phenyl]imidazol-4-yl]ethanamine.

Molecular Properties

Compound Name1-[3-[2-chloro-6-(trifluoromethyl)phenyl]imidazol-4-yl]ethanamine
PubChem CID114703991
Molecular FormulaC12H11ClF3N3
Molecular Weight289.69 g/mol
Exact Mass289.06
IUPAC Name1-[3-[2-chloro-6-(trifluoromethyl)phenyl]imidazol-4-yl]ethanamine
SMILESCC(N)c1cncn1-c1c(Cl)cccc1C(F)(F)F
InChIInChI=1S/C12H11ClF3N3/c1-7(17)10-5-18-6-19(10)11-8(12(14,15)16)3-2-4-9(11)13/h2-7H,17H2,1H3
InChIKeyJFIGZHVQLFJREP-UHFFFAOYSA-N
XLogP3.56
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.69
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[2-chloro-6-(trifluoromethyl)phenyl]imidazol-4-yl]ethanamine?
The IUPAC name of 1-[3-[2-chloro-6-(trifluoromethyl)phenyl]imidazol-4-yl]ethanamine (CID 114703991) is 1-[3-[2-chloro-6-(trifluoromethyl)phenyl]imidazol-4-yl]ethanamine.
What is the SMILES notation for 1-[3-[2-chloro-6-(trifluoromethyl)phenyl]imidazol-4-yl]ethanamine?
The canonical SMILES for 1-[3-[2-chloro-6-(trifluoromethyl)phenyl]imidazol-4-yl]ethanamine is CC(N)c1cncn1-c1c(Cl)cccc1C(F)(F)F.
What is the InChIKey of 1-[3-[2-chloro-6-(trifluoromethyl)phenyl]imidazol-4-yl]ethanamine?
The InChIKey is JFIGZHVQLFJREP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClF3N3/c1-7(17)10-5-18-6-19(10)11-8(12(14,15)16)3-2-4-9(11)13/h2-7H,17H2,1H3.
What are the key properties of 1-[3-[2-chloro-6-(trifluoromethyl)phenyl]imidazol-4-yl]ethanamine?
1-[3-[2-chloro-6-(trifluoromethyl)phenyl]imidazol-4-yl]ethanamine has a molecular weight of 289.69 g/mol, XLogP of 3.56, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[2-chloro-6-(trifluoromethyl)phenyl]imidazol-4-yl]ethanamine is sourced from PubChem (CID 114703991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).