5-(3-bromo-4-fluorophenyl)-1-ethyl-5-methyl-4H-imidazol-2-amine

C12H15BrFN3 — CID 79509391

IUPAC5-(3-bromo-4-fluorophenyl)-1-ethyl-5-methyl-4H-imidazol-2-amine
SMILESCCN1C(N)=NCC1(C)c1ccc(F)c(Br)c1
InChIInChI=1S/C12H15BrFN3/c1-3-17-11(15)16-7-12(17,2)8-4-5-10(14)9(13)6-8/h4-6H,3,7H2,1-2H3,(H2,15,16)
InChIKeyXFIJQNGPYBVIGC-UHFFFAOYSA-N
MW300.18 g/mol
LogP2.45
Rot. Bonds2

About 5-(3-bromo-4-fluorophenyl)-1-ethyl-5-methyl-4H-imidazol-2-amine

5-(3-bromo-4-fluorophenyl)-1-ethyl-5-methyl-4H-imidazol-2-amine (PubChem CID 79509391) has the molecular formula C12H15BrFN3 and a molecular weight of 300.18 g/mol. Its IUPAC name is 5-(3-bromo-4-fluorophenyl)-1-ethyl-5-methyl-4H-imidazol-2-amine.

Molecular Properties

Compound Name5-(3-bromo-4-fluorophenyl)-1-ethyl-5-methyl-4H-imidazol-2-amine
PubChem CID79509391
Molecular FormulaC12H15BrFN3
Molecular Weight300.18 g/mol
Exact Mass299.04
IUPAC Name5-(3-bromo-4-fluorophenyl)-1-ethyl-5-methyl-4H-imidazol-2-amine
SMILESCCN1C(N)=NCC1(C)c1ccc(F)c(Br)c1
InChIInChI=1S/C12H15BrFN3/c1-3-17-11(15)16-7-12(17,2)8-4-5-10(14)9(13)6-8/h4-6H,3,7H2,1-2H3,(H2,15,16)
InChIKeyXFIJQNGPYBVIGC-UHFFFAOYSA-N
XLogP2.45
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.18
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-(3-bromo-4-fluorophenyl)-1-ethyl-5-methyl-4H-imidazol-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 5-(3-bromo-4-fluorophenyl)-1-ethyl-5-methyl-4H-imidazol-2-amine?
The IUPAC name of 5-(3-bromo-4-fluorophenyl)-1-ethyl-5-methyl-4H-imidazol-2-amine (CID 79509391) is 5-(3-bromo-4-fluorophenyl)-1-ethyl-5-methyl-4H-imidazol-2-amine.
What is the SMILES notation for 5-(3-bromo-4-fluorophenyl)-1-ethyl-5-methyl-4H-imidazol-2-amine?
The canonical SMILES for 5-(3-bromo-4-fluorophenyl)-1-ethyl-5-methyl-4H-imidazol-2-amine is CCN1C(N)=NCC1(C)c1ccc(F)c(Br)c1.
What is the InChIKey of 5-(3-bromo-4-fluorophenyl)-1-ethyl-5-methyl-4H-imidazol-2-amine?
The InChIKey is XFIJQNGPYBVIGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrFN3/c1-3-17-11(15)16-7-12(17,2)8-4-5-10(14)9(13)6-8/h4-6H,3,7H2,1-2H3,(H2,15,16).
What are the key properties of 5-(3-bromo-4-fluorophenyl)-1-ethyl-5-methyl-4H-imidazol-2-amine?
5-(3-bromo-4-fluorophenyl)-1-ethyl-5-methyl-4H-imidazol-2-amine has a molecular weight of 300.18 g/mol, XLogP of 2.45, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-bromo-4-fluorophenyl)-1-ethyl-5-methyl-4H-imidazol-2-amine is sourced from PubChem (CID 79509391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).