(1S)-1-[1-[4-(trifluoromethyl)phenyl]imidazol-4-yl]ethanamine

C12H12F3N3 — CID 130469846

IUPAC(1S)-1-[1-[4-(trifluoromethyl)phenyl]imidazol-4-yl]ethanamine
SMILESC[C@H](N)c1cn(-c2ccc(C(F)(F)F)cc2)cn1
InChIInChI=1S/C12H12F3N3/c1-8(16)11-6-18(7-17-11)10-4-2-9(3-5-10)12(13,14)15/h2-8H,16H2,1H3/t8-/m0/s1
InChIKeyUASDRMROSAKFPR-QMMMGPOBSA-N
MW255.24 g/mol
LogP2.91
Rot. Bonds2

About (1S)-1-[1-[4-(trifluoromethyl)phenyl]imidazol-4-yl]ethanamine

(1S)-1-[1-[4-(trifluoromethyl)phenyl]imidazol-4-yl]ethanamine (PubChem CID 130469846) has the molecular formula C12H12F3N3 and a molecular weight of 255.24 g/mol. Its IUPAC name is (1S)-1-[1-[4-(trifluoromethyl)phenyl]imidazol-4-yl]ethanamine.

Molecular Properties

Compound Name(1S)-1-[1-[4-(trifluoromethyl)phenyl]imidazol-4-yl]ethanamine
PubChem CID130469846
Molecular FormulaC12H12F3N3
Molecular Weight255.24 g/mol
Exact Mass255.10
IUPAC Name(1S)-1-[1-[4-(trifluoromethyl)phenyl]imidazol-4-yl]ethanamine
SMILESC[C@H](N)c1cn(-c2ccc(C(F)(F)F)cc2)cn1
InChIInChI=1S/C12H12F3N3/c1-8(16)11-6-18(7-17-11)10-4-2-9(3-5-10)12(13,14)15/h2-8H,16H2,1H3/t8-/m0/s1
InChIKeyUASDRMROSAKFPR-QMMMGPOBSA-N
XLogP2.91
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.24
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-[4-(trifluoromethyl)phenyl]imidazol-4-yl]ethanamine
CID 154960636
1-[1-(4-fluorophenyl)imidazol-4-yl]ethanamine;hydrochloride
CID 134263758
(1S)-1-[1-(4-chloro-3-methoxyphenyl)imidazol-4-yl]ethanamine
CID 130469639
(1-methylimidazol-4-yl)-[4-(trifluoromethyl)phenyl]methanamine
CID 114022944
1-[1-(4-chloro-2-fluorophenyl)imidazol-4-yl]ethanamine
CID 134263748
5-propan-2-yl-1-[2-[1-[1-[4-(trifluoromethyl)phenyl]imidazol-4-yl]ethylamino]pyrimidin-4-yl]imidazolidin-2-one
CID 172873638
4-(4-propan-2-ylimidazol-1-yl)benzonitrile
CID 166589479
(1S)-1-(1-methylimidazol-4-yl)ethanamine
CID 96637865
1-[5-methyl-1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]ethanamine
CID 81247880
(1S)-1-[4-(trifluoromethyl)-2-pyridinyl]ethanamine;hydrochloride
CID 118990673
1-methyl-4-propan-2-yl-3-[2-[[(1S)-1-[1-[4-(trifluoromethyl)phenyl]imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]imidazolidin-2-one
CID 138555054
(1R)-1-(1-methylimidazol-4-yl)ethanamine;dihydrochloride
CID 162341661

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[1-[4-(trifluoromethyl)phenyl]imidazol-4-yl]ethanamine?
The IUPAC name of (1S)-1-[1-[4-(trifluoromethyl)phenyl]imidazol-4-yl]ethanamine (CID 130469846) is (1S)-1-[1-[4-(trifluoromethyl)phenyl]imidazol-4-yl]ethanamine.
What is the SMILES notation for (1S)-1-[1-[4-(trifluoromethyl)phenyl]imidazol-4-yl]ethanamine?
The canonical SMILES for (1S)-1-[1-[4-(trifluoromethyl)phenyl]imidazol-4-yl]ethanamine is C[C@H](N)c1cn(-c2ccc(C(F)(F)F)cc2)cn1.
What is the InChIKey of (1S)-1-[1-[4-(trifluoromethyl)phenyl]imidazol-4-yl]ethanamine?
The InChIKey is UASDRMROSAKFPR-QMMMGPOBSA-N. The full InChI is InChI=1S/C12H12F3N3/c1-8(16)11-6-18(7-17-11)10-4-2-9(3-5-10)12(13,14)15/h2-8H,16H2,1H3/t8-/m0/s1.
What are the key properties of (1S)-1-[1-[4-(trifluoromethyl)phenyl]imidazol-4-yl]ethanamine?
(1S)-1-[1-[4-(trifluoromethyl)phenyl]imidazol-4-yl]ethanamine has a molecular weight of 255.24 g/mol, XLogP of 2.91, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[1-[4-(trifluoromethyl)phenyl]imidazol-4-yl]ethanamine is sourced from PubChem (CID 130469846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).