1-[3-bromo-4-(trifluoromethoxy)phenyl]-N-methylimidazol-2-amine

C11H9BrF3N3O — CID 107336923

IUPAC1-[3-bromo-4-(trifluoromethoxy)phenyl]-N-methylimidazol-2-amine
SMILESCNc1nccn1-c1ccc(OC(F)(F)F)c(Br)c1
InChIInChI=1S/C11H9BrF3N3O/c1-16-10-17-4-5-18(10)7-2-3-9(8(12)6-7)19-11(13,14)15/h2-6H,1H3,(H,16,17)
InChIKeyNQZUVYQYCUVFFA-UHFFFAOYSA-N
MW336.11 g/mol
LogP3.58
Rot. Bonds3

About 1-[3-bromo-4-(trifluoromethoxy)phenyl]-N-methylimidazol-2-amine

1-[3-bromo-4-(trifluoromethoxy)phenyl]-N-methylimidazol-2-amine (PubChem CID 107336923) has the molecular formula C11H9BrF3N3O and a molecular weight of 336.11 g/mol. Its IUPAC name is 1-[3-bromo-4-(trifluoromethoxy)phenyl]-N-methylimidazol-2-amine.

Molecular Properties

Compound Name1-[3-bromo-4-(trifluoromethoxy)phenyl]-N-methylimidazol-2-amine
PubChem CID107336923
Molecular FormulaC11H9BrF3N3O
Molecular Weight336.11 g/mol
Exact Mass334.99
IUPAC Name1-[3-bromo-4-(trifluoromethoxy)phenyl]-N-methylimidazol-2-amine
SMILESCNc1nccn1-c1ccc(OC(F)(F)F)c(Br)c1
InChIInChI=1S/C11H9BrF3N3O/c1-16-10-17-4-5-18(10)7-2-3-9(8(12)6-7)19-11(13,14)15/h2-6H,1H3,(H,16,17)
InChIKeyNQZUVYQYCUVFFA-UHFFFAOYSA-N
XLogP3.58
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.11
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[3-bromo-4-(trifluoromethoxy)phenyl]-N-methylimidazol-2-amine 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

1-[3-bromo-4-(trifluoromethoxy)phenyl]-N-propylimidazol-2-amine
CID 107336932
N-methyl-1-[4-(trifluoromethyl)phenyl]imidazol-2-amine
CID 106557098
1-(4-bromophenyl)-N-methylimidazol-2-amine
CID 106558582
4-[3-bromo-4-(trifluoromethoxy)phenoxy]-N-methylpyridin-2-amine
CID 102715111
1-[3-bromo-4-(trifluoromethoxy)phenyl]-N-[(1-methylimidazol-2-yl)methyl]methanamine
CID 107342350
4-(bromomethyl)-1-[3-bromo-4-(trifluoromethoxy)phenyl]imidazole
CID 114204826
1-(3-bromo-5-methylphenyl)-N-methylimidazol-2-amine
CID 107581447
N-methyl-1-quinolin-6-ylimidazol-2-amine
CID 106570148
N-cyclopropyl-1-[4-(trifluoromethoxy)phenyl]imidazol-2-amine
CID 106557401
1-[3-bromo-4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)-2H-tetrazole
CID 54427000
3-N-[3-bromo-4-(trifluoromethoxy)phenyl]pyrazine-2,3-diamine
CID 107336862
N-[4-bromo-2-(trifluoromethoxy)phenyl]-1-ethylimidazol-2-amine
CID 106583296

Frequently Asked Questions

What is the IUPAC name of 1-[3-bromo-4-(trifluoromethoxy)phenyl]-N-methylimidazol-2-amine?
The IUPAC name of 1-[3-bromo-4-(trifluoromethoxy)phenyl]-N-methylimidazol-2-amine (CID 107336923) is 1-[3-bromo-4-(trifluoromethoxy)phenyl]-N-methylimidazol-2-amine.
What is the SMILES notation for 1-[3-bromo-4-(trifluoromethoxy)phenyl]-N-methylimidazol-2-amine?
The canonical SMILES for 1-[3-bromo-4-(trifluoromethoxy)phenyl]-N-methylimidazol-2-amine is CNc1nccn1-c1ccc(OC(F)(F)F)c(Br)c1.
What is the InChIKey of 1-[3-bromo-4-(trifluoromethoxy)phenyl]-N-methylimidazol-2-amine?
The InChIKey is NQZUVYQYCUVFFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrF3N3O/c1-16-10-17-4-5-18(10)7-2-3-9(8(12)6-7)19-11(13,14)15/h2-6H,1H3,(H,16,17).
What are the key properties of 1-[3-bromo-4-(trifluoromethoxy)phenyl]-N-methylimidazol-2-amine?
1-[3-bromo-4-(trifluoromethoxy)phenyl]-N-methylimidazol-2-amine has a molecular weight of 336.11 g/mol, XLogP of 3.58, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-bromo-4-(trifluoromethoxy)phenyl]-N-methylimidazol-2-amine is sourced from PubChem (CID 107336923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).