1-[5-[4-(trifluoromethoxy)phenyl]-1H-imidazol-2-yl]ethanamine

C12H12F3N3O — CID 43649795

IUPAC1-[5-[4-(trifluoromethoxy)phenyl]-1H-imidazol-2-yl]ethanamine
SMILESCC(N)c1ncc(-c2ccc(OC(F)(F)F)cc2)[nH]1
InChIInChI=1S/C12H12F3N3O/c1-7(16)11-17-6-10(18-11)8-2-4-9(5-3-8)19-12(13,14)15/h2-7H,16H2,1H3,(H,17,18)
InChIKeyMZCKABQEQIPEPV-UHFFFAOYSA-N
MW271.24 g/mol
LogP2.99
Rot. Bonds3

About 1-[5-[4-(trifluoromethoxy)phenyl]-1H-imidazol-2-yl]ethanamine

1-[5-[4-(trifluoromethoxy)phenyl]-1H-imidazol-2-yl]ethanamine (PubChem CID 43649795) has the molecular formula C12H12F3N3O and a molecular weight of 271.24 g/mol. Its IUPAC name is 1-[5-[4-(trifluoromethoxy)phenyl]-1H-imidazol-2-yl]ethanamine.

Molecular Properties

Compound Name1-[5-[4-(trifluoromethoxy)phenyl]-1H-imidazol-2-yl]ethanamine
PubChem CID43649795
Molecular FormulaC12H12F3N3O
Molecular Weight271.24 g/mol
Exact Mass271.09
IUPAC Name1-[5-[4-(trifluoromethoxy)phenyl]-1H-imidazol-2-yl]ethanamine
SMILESCC(N)c1ncc(-c2ccc(OC(F)(F)F)cc2)[nH]1
InChIInChI=1S/C12H12F3N3O/c1-7(16)11-17-6-10(18-11)8-2-4-9(5-3-8)19-12(13,14)15/h2-7H,16H2,1H3,(H,17,18)
InChIKeyMZCKABQEQIPEPV-UHFFFAOYSA-N
XLogP2.99
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.24
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]ethanamine;dihydrochloride
CID 72716189
3-amino-4-[5-[4-(trifluoromethoxy)phenyl]-1H-imidazol-2-yl]pentanal
CID 174727937
4-[2-[4-(trifluoromethoxy)phenyl]-1H-imidazol-5-yl]aniline
CID 68628481
1-[5-(6-methylnaphthalen-2-yl)-1H-imidazol-2-yl]ethanamine
CID 116876598
2-(oxetan-3-ylmethyl)-5-[4-(trifluoromethoxy)phenyl]-1H-imidazole
CID 141415488
3-methyl-1-[5-(4-propan-2-yloxyphenyl)-1H-imidazol-2-yl]butan-1-amine
CID 43651267
(1S)-1-[4-(trifluoromethoxy)phenyl]ethanamine;hydrochloride
CID 86346348
2-[4-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)-1H-imidazole
CID 151930953
1-[5-(2,4-dimethoxyphenyl)-1H-imidazol-2-yl]ethanamine
CID 43649844
2-(oxan-3-ylmethyl)-5-[4-(trifluoromethoxy)phenyl]-1H-imidazole
CID 141415479
1-[5-(1,1-difluoroethyl)-1H-imidazol-2-yl]ethanamine
CID 84766816
1-[5-[4-[2-[4-[2-(1-amino-2,2-dimethylpropyl)-1H-imidazol-5-yl]phenyl]ethynyl]phenyl]-1H-imidazol-2-yl]-2,2-dimethylpropan-1-amine
CID 123380486

Frequently Asked Questions

What is the IUPAC name of 1-[5-[4-(trifluoromethoxy)phenyl]-1H-imidazol-2-yl]ethanamine?
The IUPAC name of 1-[5-[4-(trifluoromethoxy)phenyl]-1H-imidazol-2-yl]ethanamine (CID 43649795) is 1-[5-[4-(trifluoromethoxy)phenyl]-1H-imidazol-2-yl]ethanamine.
What is the SMILES notation for 1-[5-[4-(trifluoromethoxy)phenyl]-1H-imidazol-2-yl]ethanamine?
The canonical SMILES for 1-[5-[4-(trifluoromethoxy)phenyl]-1H-imidazol-2-yl]ethanamine is CC(N)c1ncc(-c2ccc(OC(F)(F)F)cc2)[nH]1.
What is the InChIKey of 1-[5-[4-(trifluoromethoxy)phenyl]-1H-imidazol-2-yl]ethanamine?
The InChIKey is MZCKABQEQIPEPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F3N3O/c1-7(16)11-17-6-10(18-11)8-2-4-9(5-3-8)19-12(13,14)15/h2-7H,16H2,1H3,(H,17,18).
What are the key properties of 1-[5-[4-(trifluoromethoxy)phenyl]-1H-imidazol-2-yl]ethanamine?
1-[5-[4-(trifluoromethoxy)phenyl]-1H-imidazol-2-yl]ethanamine has a molecular weight of 271.24 g/mol, XLogP of 2.99, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[4-(trifluoromethoxy)phenyl]-1H-imidazol-2-yl]ethanamine is sourced from PubChem (CID 43649795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).