1-[(4-bromo-3-fluorophenyl)methyl]-5-methylimidazol-2-amine

C11H11BrFN3 — CID 81446913

IUPAC1-[(4-bromo-3-fluorophenyl)methyl]-5-methylimidazol-2-amine
SMILESCc1cnc(N)n1Cc1ccc(Br)c(F)c1
InChIInChI=1S/C11H11BrFN3/c1-7-5-15-11(14)16(7)6-8-2-3-9(12)10(13)4-8/h2-5H,6H2,1H3,(H2,14,15)
InChIKeyAXCOZHSIMHRHSD-UHFFFAOYSA-N
MW284.13 g/mol
LogP2.72
Rot. Bonds2

About 1-[(4-bromo-3-fluorophenyl)methyl]-5-methylimidazol-2-amine

1-[(4-bromo-3-fluorophenyl)methyl]-5-methylimidazol-2-amine (PubChem CID 81446913) has the molecular formula C11H11BrFN3 and a molecular weight of 284.13 g/mol. Its IUPAC name is 1-[(4-bromo-3-fluorophenyl)methyl]-5-methylimidazol-2-amine.

Molecular Properties

Compound Name1-[(4-bromo-3-fluorophenyl)methyl]-5-methylimidazol-2-amine
PubChem CID81446913
Molecular FormulaC11H11BrFN3
Molecular Weight284.13 g/mol
Exact Mass283.01
IUPAC Name1-[(4-bromo-3-fluorophenyl)methyl]-5-methylimidazol-2-amine
SMILESCc1cnc(N)n1Cc1ccc(Br)c(F)c1
InChIInChI=1S/C11H11BrFN3/c1-7-5-15-11(14)16(7)6-8-2-3-9(12)10(13)4-8/h2-5H,6H2,1H3,(H2,14,15)
InChIKeyAXCOZHSIMHRHSD-UHFFFAOYSA-N
XLogP2.72
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.13
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[(4-bromo-3-fluorophenyl)methyl]-5-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 1-[(4-bromo-3-fluorophenyl)methyl]-5-methylimidazol-2-amine?
The IUPAC name of 1-[(4-bromo-3-fluorophenyl)methyl]-5-methylimidazol-2-amine (CID 81446913) is 1-[(4-bromo-3-fluorophenyl)methyl]-5-methylimidazol-2-amine.
What is the SMILES notation for 1-[(4-bromo-3-fluorophenyl)methyl]-5-methylimidazol-2-amine?
The canonical SMILES for 1-[(4-bromo-3-fluorophenyl)methyl]-5-methylimidazol-2-amine is Cc1cnc(N)n1Cc1ccc(Br)c(F)c1.
What is the InChIKey of 1-[(4-bromo-3-fluorophenyl)methyl]-5-methylimidazol-2-amine?
The InChIKey is AXCOZHSIMHRHSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrFN3/c1-7-5-15-11(14)16(7)6-8-2-3-9(12)10(13)4-8/h2-5H,6H2,1H3,(H2,14,15).
What are the key properties of 1-[(4-bromo-3-fluorophenyl)methyl]-5-methylimidazol-2-amine?
1-[(4-bromo-3-fluorophenyl)methyl]-5-methylimidazol-2-amine has a molecular weight of 284.13 g/mol, XLogP of 2.72, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-bromo-3-fluorophenyl)methyl]-5-methylimidazol-2-amine is sourced from PubChem (CID 81446913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).