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

C12H11BrF3N3 — CID 104943209

IUPAC(1S)-1-[3-[3-bromo-5-(trifluoromethyl)phenyl]imidazol-4-yl]ethanamine
SMILESC[C@H](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/t7-/m0/s1
InChIKeyCZKYUNZQIANFRL-ZETCQYMHSA-N
MW334.14 g/mol
LogP3.67
Rot. Bonds2

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

(1S)-1-[3-[3-bromo-5-(trifluoromethyl)phenyl]imidazol-4-yl]ethanamine (PubChem CID 104943209) has the molecular formula C12H11BrF3N3 and a molecular weight of 334.14 g/mol. Its IUPAC name is (1S)-1-[3-[3-bromo-5-(trifluoromethyl)phenyl]imidazol-4-yl]ethanamine.

Molecular Properties

Compound Name(1S)-1-[3-[3-bromo-5-(trifluoromethyl)phenyl]imidazol-4-yl]ethanamine
PubChem CID104943209
Molecular FormulaC12H11BrF3N3
Molecular Weight334.14 g/mol
Exact Mass333.01
IUPAC Name(1S)-1-[3-[3-bromo-5-(trifluoromethyl)phenyl]imidazol-4-yl]ethanamine
SMILESC[C@H](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/t7-/m0/s1
InChIKeyCZKYUNZQIANFRL-ZETCQYMHSA-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

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Related Compounds

1-[3-[3-bromo-5-(trifluoromethyl)phenyl]imidazol-4-yl]ethanamine
CID 114706260
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 (1S)-1-[3-[3-bromo-5-(trifluoromethyl)phenyl]imidazol-4-yl]ethanamine?
The IUPAC name of (1S)-1-[3-[3-bromo-5-(trifluoromethyl)phenyl]imidazol-4-yl]ethanamine (CID 104943209) is (1S)-1-[3-[3-bromo-5-(trifluoromethyl)phenyl]imidazol-4-yl]ethanamine.
What is the SMILES notation for (1S)-1-[3-[3-bromo-5-(trifluoromethyl)phenyl]imidazol-4-yl]ethanamine?
The canonical SMILES for (1S)-1-[3-[3-bromo-5-(trifluoromethyl)phenyl]imidazol-4-yl]ethanamine is C[C@H](N)c1cncn1-c1cc(Br)cc(C(F)(F)F)c1.
What is the InChIKey of (1S)-1-[3-[3-bromo-5-(trifluoromethyl)phenyl]imidazol-4-yl]ethanamine?
The InChIKey is CZKYUNZQIANFRL-ZETCQYMHSA-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/t7-/m0/s1.
What are the key properties of (1S)-1-[3-[3-bromo-5-(trifluoromethyl)phenyl]imidazol-4-yl]ethanamine?
(1S)-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 (1S)-1-[3-[3-bromo-5-(trifluoromethyl)phenyl]imidazol-4-yl]ethanamine is sourced from PubChem (CID 104943209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).