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

C12H12F3N3 — CID 5310982

IUPAC2-[2-[3-(trifluoromethyl)phenyl]-1H-imidazol-5-yl]ethanamine
SMILESNCCc1cnc(-c2cccc(C(F)(F)F)c2)[nH]1
InChIInChI=1S/C12H12F3N3/c13-12(14,15)9-3-1-2-8(6-9)11-17-7-10(18-11)4-5-16/h1-3,6-7H,4-5,16H2,(H,17,18)
InChIKeyNFUYVKMAGIJYKB-UHFFFAOYSA-N
MW255.24 g/mol
LogP2.60
Rot. Bonds3

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

2-[2-[3-(trifluoromethyl)phenyl]-1H-imidazol-5-yl]ethanamine (PubChem CID 5310982) has the molecular formula C12H12F3N3 and a molecular weight of 255.24 g/mol. Its IUPAC name is 2-[2-[3-(trifluoromethyl)phenyl]-1H-imidazol-5-yl]ethanamine.

Molecular Properties

Compound Name2-[2-[3-(trifluoromethyl)phenyl]-1H-imidazol-5-yl]ethanamine
PubChem CID5310982
Molecular FormulaC12H12F3N3
Molecular Weight255.24 g/mol
Exact Mass255.10
IUPAC Name2-[2-[3-(trifluoromethyl)phenyl]-1H-imidazol-5-yl]ethanamine
SMILESNCCc1cnc(-c2cccc(C(F)(F)F)c2)[nH]1
InChIInChI=1S/C12H12F3N3/c13-12(14,15)9-3-1-2-8(6-9)11-17-7-10(18-11)4-5-16/h1-3,6-7H,4-5,16H2,(H,17,18)
InChIKeyNFUYVKMAGIJYKB-UHFFFAOYSA-N
XLogP2.60
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.24
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-[2-[3-(trifluoromethyl)phenyl]-1H-imidazol-5-yl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[2-[3-(trifluoromethyl)phenyl]-1H-imidazol-5-yl]ethanamine?
The IUPAC name of 2-[2-[3-(trifluoromethyl)phenyl]-1H-imidazol-5-yl]ethanamine (CID 5310982) is 2-[2-[3-(trifluoromethyl)phenyl]-1H-imidazol-5-yl]ethanamine.
What is the SMILES notation for 2-[2-[3-(trifluoromethyl)phenyl]-1H-imidazol-5-yl]ethanamine?
The canonical SMILES for 2-[2-[3-(trifluoromethyl)phenyl]-1H-imidazol-5-yl]ethanamine is NCCc1cnc(-c2cccc(C(F)(F)F)c2)[nH]1.
What is the InChIKey of 2-[2-[3-(trifluoromethyl)phenyl]-1H-imidazol-5-yl]ethanamine?
The InChIKey is NFUYVKMAGIJYKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F3N3/c13-12(14,15)9-3-1-2-8(6-9)11-17-7-10(18-11)4-5-16/h1-3,6-7H,4-5,16H2,(H,17,18).
What are the key properties of 2-[2-[3-(trifluoromethyl)phenyl]-1H-imidazol-5-yl]ethanamine?
2-[2-[3-(trifluoromethyl)phenyl]-1H-imidazol-5-yl]ethanamine has a molecular weight of 255.24 g/mol, XLogP of 2.60, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[3-(trifluoromethyl)phenyl]-1H-imidazol-5-yl]ethanamine is sourced from PubChem (CID 5310982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).