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

C10H11BrFN3 — CID 166161699

IUPAC1-[(3-bromo-4-fluorophenyl)methyl]-4,5-dihydroimidazol-2-amine
SMILESNC1=NCCN1Cc1ccc(F)c(Br)c1
InChIInChI=1S/C10H11BrFN3/c11-8-5-7(1-2-9(8)12)6-15-4-3-14-10(15)13/h1-2,5H,3-4,6H2,(H2,13,14)
InChIKeyBVMSOKSJTWMYNX-UHFFFAOYSA-N
MW272.12 g/mol
LogP1.72
Rot. Bonds2

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

1-[(3-bromo-4-fluorophenyl)methyl]-4,5-dihydroimidazol-2-amine (PubChem CID 166161699) has the molecular formula C10H11BrFN3 and a molecular weight of 272.12 g/mol. Its IUPAC name is 1-[(3-bromo-4-fluorophenyl)methyl]-4,5-dihydroimidazol-2-amine.

Molecular Properties

Compound Name1-[(3-bromo-4-fluorophenyl)methyl]-4,5-dihydroimidazol-2-amine
PubChem CID166161699
Molecular FormulaC10H11BrFN3
Molecular Weight272.12 g/mol
Exact Mass271.01
IUPAC Name1-[(3-bromo-4-fluorophenyl)methyl]-4,5-dihydroimidazol-2-amine
SMILESNC1=NCCN1Cc1ccc(F)c(Br)c1
InChIInChI=1S/C10H11BrFN3/c11-8-5-7(1-2-9(8)12)6-15-4-3-14-10(15)13/h1-2,5H,3-4,6H2,(H2,13,14)
InChIKeyBVMSOKSJTWMYNX-UHFFFAOYSA-N
XLogP1.72
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.12
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[(3-bromo-4-fluorophenyl)methyl]-4,5-dihydroimidazol-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-[(3-bromo-4-fluorophenyl)methyl]-4,5-dihydroimidazol-2-amine?
The IUPAC name of 1-[(3-bromo-4-fluorophenyl)methyl]-4,5-dihydroimidazol-2-amine (CID 166161699) is 1-[(3-bromo-4-fluorophenyl)methyl]-4,5-dihydroimidazol-2-amine.
What is the SMILES notation for 1-[(3-bromo-4-fluorophenyl)methyl]-4,5-dihydroimidazol-2-amine?
The canonical SMILES for 1-[(3-bromo-4-fluorophenyl)methyl]-4,5-dihydroimidazol-2-amine is NC1=NCCN1Cc1ccc(F)c(Br)c1.
What is the InChIKey of 1-[(3-bromo-4-fluorophenyl)methyl]-4,5-dihydroimidazol-2-amine?
The InChIKey is BVMSOKSJTWMYNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrFN3/c11-8-5-7(1-2-9(8)12)6-15-4-3-14-10(15)13/h1-2,5H,3-4,6H2,(H2,13,14).
What are the key properties of 1-[(3-bromo-4-fluorophenyl)methyl]-4,5-dihydroimidazol-2-amine?
1-[(3-bromo-4-fluorophenyl)methyl]-4,5-dihydroimidazol-2-amine has a molecular weight of 272.12 g/mol, XLogP of 1.72, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-bromo-4-fluorophenyl)methyl]-4,5-dihydroimidazol-2-amine is sourced from PubChem (CID 166161699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).