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

C13H13BrF3N3O — CID 106583303

IUPACN-[4-bromo-2-(trifluoromethoxy)phenyl]-1-ethyl-4-methylimidazol-2-amine
SMILESCCn1cc(C)nc1Nc1ccc(Br)cc1OC(F)(F)F
InChIInChI=1S/C13H13BrF3N3O/c1-3-20-7-8(2)18-12(20)19-10-5-4-9(14)6-11(10)21-13(15,16)17/h4-7H,3H2,1-2H3,(H,18,19)
InChIKeyVKMBEGOELKHJEJ-UHFFFAOYSA-N
MW364.17 g/mol
LogP4.62
Rot. Bonds4

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

N-[4-bromo-2-(trifluoromethoxy)phenyl]-1-ethyl-4-methylimidazol-2-amine (PubChem CID 106583303) has the molecular formula C13H13BrF3N3O and a molecular weight of 364.17 g/mol. Its IUPAC name is N-[4-bromo-2-(trifluoromethoxy)phenyl]-1-ethyl-4-methylimidazol-2-amine.

Molecular Properties

Compound NameN-[4-bromo-2-(trifluoromethoxy)phenyl]-1-ethyl-4-methylimidazol-2-amine
PubChem CID106583303
Molecular FormulaC13H13BrF3N3O
Molecular Weight364.17 g/mol
Exact Mass363.02
IUPAC NameN-[4-bromo-2-(trifluoromethoxy)phenyl]-1-ethyl-4-methylimidazol-2-amine
SMILESCCn1cc(C)nc1Nc1ccc(Br)cc1OC(F)(F)F
InChIInChI=1S/C13H13BrF3N3O/c1-3-20-7-8(2)18-12(20)19-10-5-4-9(14)6-11(10)21-13(15,16)17/h4-7H,3H2,1-2H3,(H,18,19)
InChIKeyVKMBEGOELKHJEJ-UHFFFAOYSA-N
XLogP4.62
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.17
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[4-bromo-2-(trifluoromethoxy)phenyl]-1-ethyl-4-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

Frequently Asked Questions

What is the IUPAC name of N-[4-bromo-2-(trifluoromethoxy)phenyl]-1-ethyl-4-methylimidazol-2-amine?
The IUPAC name of N-[4-bromo-2-(trifluoromethoxy)phenyl]-1-ethyl-4-methylimidazol-2-amine (CID 106583303) is N-[4-bromo-2-(trifluoromethoxy)phenyl]-1-ethyl-4-methylimidazol-2-amine.
What is the SMILES notation for N-[4-bromo-2-(trifluoromethoxy)phenyl]-1-ethyl-4-methylimidazol-2-amine?
The canonical SMILES for N-[4-bromo-2-(trifluoromethoxy)phenyl]-1-ethyl-4-methylimidazol-2-amine is CCn1cc(C)nc1Nc1ccc(Br)cc1OC(F)(F)F.
What is the InChIKey of N-[4-bromo-2-(trifluoromethoxy)phenyl]-1-ethyl-4-methylimidazol-2-amine?
The InChIKey is VKMBEGOELKHJEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrF3N3O/c1-3-20-7-8(2)18-12(20)19-10-5-4-9(14)6-11(10)21-13(15,16)17/h4-7H,3H2,1-2H3,(H,18,19).
What are the key properties of N-[4-bromo-2-(trifluoromethoxy)phenyl]-1-ethyl-4-methylimidazol-2-amine?
N-[4-bromo-2-(trifluoromethoxy)phenyl]-1-ethyl-4-methylimidazol-2-amine has a molecular weight of 364.17 g/mol, XLogP of 4.62, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-bromo-2-(trifluoromethoxy)phenyl]-1-ethyl-4-methylimidazol-2-amine is sourced from PubChem (CID 106583303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).