2-[2-[3-(trifluoromethoxy)phenyl]-1H-imidazol-5-yl]ethanamine

C12H12F3N3O — CID 10400975

IUPAC2-[2-[3-(trifluoromethoxy)phenyl]-1H-imidazol-5-yl]ethanamine
SMILESNCCc1cnc(-c2cccc(OC(F)(F)F)c2)[nH]1
InChIInChI=1S/C12H12F3N3O/c13-12(14,15)19-10-3-1-2-8(6-10)11-17-7-9(18-11)4-5-16/h1-3,6-7H,4-5,16H2,(H,17,18)
InChIKeyQIVJGGMPWLEGSD-UHFFFAOYSA-N
MW271.24 g/mol
LogP2.48
Rot. Bonds4

About 2-[2-[3-(trifluoromethoxy)phenyl]-1H-imidazol-5-yl]ethanamine

2-[2-[3-(trifluoromethoxy)phenyl]-1H-imidazol-5-yl]ethanamine (PubChem CID 10400975) has the molecular formula C12H12F3N3O and a molecular weight of 271.24 g/mol. Its IUPAC name is 2-[2-[3-(trifluoromethoxy)phenyl]-1H-imidazol-5-yl]ethanamine.

Molecular Properties

Compound Name2-[2-[3-(trifluoromethoxy)phenyl]-1H-imidazol-5-yl]ethanamine
PubChem CID10400975
Molecular FormulaC12H12F3N3O
Molecular Weight271.24 g/mol
Exact Mass271.09
IUPAC Name2-[2-[3-(trifluoromethoxy)phenyl]-1H-imidazol-5-yl]ethanamine
SMILESNCCc1cnc(-c2cccc(OC(F)(F)F)c2)[nH]1
InChIInChI=1S/C12H12F3N3O/c13-12(14,15)19-10-3-1-2-8(6-10)11-17-7-9(18-11)4-5-16/h1-3,6-7H,4-5,16H2,(H,17,18)
InChIKeyQIVJGGMPWLEGSD-UHFFFAOYSA-N
XLogP2.48
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.24
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-methoxyphenyl)-1H-imidazole
CID 3792851
5-(4-Methoxyphenyl)-2-phenyl-1H-imidazole
CID 12024852
2-(4-(4-(Trifluoromethoxy)phenyl)-1H-imidazol-2-yl)propan-2-amine
CID 65459349
(2S)-1-(tert-butylamino)-3-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]phenoxy]propan-2-ol
CID 12878477
(3-Methoxy-benzyl)-(1-methyl-5-phenyl-1H-imidazol-2-yl)-amine
CID 1096451
Piperazine, 1-(2-methoxyphenyl)-4-[(2-phenyl-1H-imidazol-4-yl)methyl]-
CID 2812858
5-(4-Butoxy-phenyl)-1H-imidazole
CID 11275964
4-(3-methoxyphenyl)-2-phenyl-1H-imidazole
CID 18673160
3-(1H-imidazol-4-yl)phenol
CID 24971332
6-(3-methoxyphenyl)-5H-pyrrolo[2,3-b]pyrazine
CID 6538768
1-(3-(3-(4-((1H-imidazol-4-yl)methyl)piperidin-1-yl)propoxy)benzyl)piperidine
CID 44408021
4-[3-(3-Trifluoromethyl-phenoxy)-propyl]-1H-imidazole
CID 9838305

Frequently Asked Questions

What is the IUPAC name of 2-[2-[3-(trifluoromethoxy)phenyl]-1H-imidazol-5-yl]ethanamine?
The IUPAC name of 2-[2-[3-(trifluoromethoxy)phenyl]-1H-imidazol-5-yl]ethanamine (CID 10400975) is 2-[2-[3-(trifluoromethoxy)phenyl]-1H-imidazol-5-yl]ethanamine.
What is the SMILES notation for 2-[2-[3-(trifluoromethoxy)phenyl]-1H-imidazol-5-yl]ethanamine?
The canonical SMILES for 2-[2-[3-(trifluoromethoxy)phenyl]-1H-imidazol-5-yl]ethanamine is NCCc1cnc(-c2cccc(OC(F)(F)F)c2)[nH]1.
What is the InChIKey of 2-[2-[3-(trifluoromethoxy)phenyl]-1H-imidazol-5-yl]ethanamine?
The InChIKey is QIVJGGMPWLEGSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F3N3O/c13-12(14,15)19-10-3-1-2-8(6-10)11-17-7-9(18-11)4-5-16/h1-3,6-7H,4-5,16H2,(H,17,18).
What are the key properties of 2-[2-[3-(trifluoromethoxy)phenyl]-1H-imidazol-5-yl]ethanamine?
2-[2-[3-(trifluoromethoxy)phenyl]-1H-imidazol-5-yl]ethanamine has a molecular weight of 271.24 g/mol, XLogP of 2.48, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[3-(trifluoromethoxy)phenyl]-1H-imidazol-5-yl]ethanamine is sourced from PubChem (CID 10400975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).