1-[3-[3-bromo-5-(trifluoromethyl)phenyl]imidazol-4-yl]ethanamine

C12H11BrF3N3 — CID 114706260

IUPAC1-[3-[3-bromo-5-(trifluoromethyl)phenyl]imidazol-4-yl]ethanamine
SMILESCC(N)c1cncn1-c1cc(Br)cc(C(F)(F)F)c1
InChIInChI=1S/C12H11BrF3N3/c1-7(17)11-5-18-6-19(11)10-3-8(12(14,15)16)2-9(13)4-10/h2-7H,17H2,1H3
InChIKeyCZKYUNZQIANFRL-UHFFFAOYSA-N
MW334.14 g/mol
LogP3.67
Rot. Bonds2

About 1-[3-[3-bromo-5-(trifluoromethyl)phenyl]imidazol-4-yl]ethanamine

1-[3-[3-bromo-5-(trifluoromethyl)phenyl]imidazol-4-yl]ethanamine (PubChem CID 114706260) has the molecular formula C12H11BrF3N3 and a molecular weight of 334.14 g/mol. Its IUPAC name is 1-[3-[3-bromo-5-(trifluoromethyl)phenyl]imidazol-4-yl]ethanamine.

Molecular Properties

Compound Name1-[3-[3-bromo-5-(trifluoromethyl)phenyl]imidazol-4-yl]ethanamine
PubChem CID114706260
Molecular FormulaC12H11BrF3N3
Molecular Weight334.14 g/mol
Exact Mass333.01
IUPAC Name1-[3-[3-bromo-5-(trifluoromethyl)phenyl]imidazol-4-yl]ethanamine
SMILESCC(N)c1cncn1-c1cc(Br)cc(C(F)(F)F)c1
InChIInChI=1S/C12H11BrF3N3/c1-7(17)11-5-18-6-19(11)10-3-8(12(14,15)16)2-9(13)4-10/h2-7H,17H2,1H3
InChIKeyCZKYUNZQIANFRL-UHFFFAOYSA-N
XLogP3.67
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.14
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[3-[3-bromo-5-(trifluoromethyl)phenyl]imidazol-4-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

Related Compounds

(1S)-1-[3-[3-bromo-5-(trifluoromethyl)phenyl]imidazol-4-yl]ethanamine
CID 104943209
1-[3-(4-bromophenyl)imidazol-4-yl]ethanamine
CID 114703750
1-[3-[3-chloro-5-(trifluoromethyl)phenyl]imidazol-4-yl]-2-methylpropan-1-amine
CID 102969902
(1R)-1-[3-(3,4,5-trifluorophenyl)imidazol-4-yl]ethanamine
CID 104942944
2-[3-[3-bromo-5-(trifluoromethyl)phenyl]imidazol-4-yl]-N-methylpropan-2-amine
CID 114708321
(1R)-1-[3-[3-chloro-5-(trifluoromethyl)phenyl]imidazol-4-yl]propan-1-amine
CID 104944066
1-[3-(3,5-dichloro-4-fluorophenyl)imidazol-4-yl]ethanamine
CID 107581302
1-[3-(4-bromo-3-fluorophenyl)imidazol-4-yl]ethanamine
CID 114706316
(1R)-1-[3-(6-bromonaphthalen-2-yl)imidazol-4-yl]ethanamine
CID 104943457
1-[3-(3-bromo-4-chlorophenyl)imidazol-4-yl]ethanamine
CID 114706646
(1R)-1-[3-(3,4,5-trimethoxyphenyl)imidazol-4-yl]ethanamine
CID 104941610
1-[3-(5-bromo-3-pyridinyl)imidazol-4-yl]-3-methylbutan-1-amine
CID 114223411

Frequently Asked Questions

What is the IUPAC name of 1-[3-[3-bromo-5-(trifluoromethyl)phenyl]imidazol-4-yl]ethanamine?
The IUPAC name of 1-[3-[3-bromo-5-(trifluoromethyl)phenyl]imidazol-4-yl]ethanamine (CID 114706260) is 1-[3-[3-bromo-5-(trifluoromethyl)phenyl]imidazol-4-yl]ethanamine.
What is the SMILES notation for 1-[3-[3-bromo-5-(trifluoromethyl)phenyl]imidazol-4-yl]ethanamine?
The canonical SMILES for 1-[3-[3-bromo-5-(trifluoromethyl)phenyl]imidazol-4-yl]ethanamine is CC(N)c1cncn1-c1cc(Br)cc(C(F)(F)F)c1.
What is the InChIKey of 1-[3-[3-bromo-5-(trifluoromethyl)phenyl]imidazol-4-yl]ethanamine?
The InChIKey is CZKYUNZQIANFRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrF3N3/c1-7(17)11-5-18-6-19(11)10-3-8(12(14,15)16)2-9(13)4-10/h2-7H,17H2,1H3.
What are the key properties of 1-[3-[3-bromo-5-(trifluoromethyl)phenyl]imidazol-4-yl]ethanamine?
1-[3-[3-bromo-5-(trifluoromethyl)phenyl]imidazol-4-yl]ethanamine has a molecular weight of 334.14 g/mol, XLogP of 3.67, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[3-bromo-5-(trifluoromethyl)phenyl]imidazol-4-yl]ethanamine is sourced from PubChem (CID 114706260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).