5-bromo-1-methylbenzimidazol-2-amine

C8H8BrN3 — CID 39733238

IUPAC5-bromo-1-methylbenzimidazol-2-amine
SMILESCn1c(N)nc2cc(Br)ccc21
InChIInChI=1S/C8H8BrN3/c1-12-7-3-2-5(9)4-6(7)11-8(12)10/h2-4H,1H3,(H2,10,11)
InChIKeyAAXWQLLNLMEEQX-UHFFFAOYSA-N
MW226.08 g/mol
LogP1.92
Rot. Bonds

About 5-bromo-1-methylbenzimidazol-2-amine

5-bromo-1-methylbenzimidazol-2-amine (PubChem CID 39733238) has the molecular formula C8H8BrN3 and a molecular weight of 226.08 g/mol. Its IUPAC name is 5-bromo-1-methylbenzimidazol-2-amine.

Molecular Properties

Compound Name5-bromo-1-methylbenzimidazol-2-amine
PubChem CID39733238
Molecular FormulaC8H8BrN3
Molecular Weight226.08 g/mol
Exact Mass224.99
IUPAC Name5-bromo-1-methylbenzimidazol-2-amine
SMILESCn1c(N)nc2cc(Br)ccc21
InChIInChI=1S/C8H8BrN3/c1-12-7-3-2-5(9)4-6(7)11-8(12)10/h2-4H,1H3,(H2,10,11)
InChIKeyAAXWQLLNLMEEQX-UHFFFAOYSA-N
XLogP1.92
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.08
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-bromo-1-methylbenzimidazol-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-bromo-1-methylbenzimidazol-2-amine?
The IUPAC name of 5-bromo-1-methylbenzimidazol-2-amine (CID 39733238) is 5-bromo-1-methylbenzimidazol-2-amine.
What is the SMILES notation for 5-bromo-1-methylbenzimidazol-2-amine?
The canonical SMILES for 5-bromo-1-methylbenzimidazol-2-amine is Cn1c(N)nc2cc(Br)ccc21.
What is the InChIKey of 5-bromo-1-methylbenzimidazol-2-amine?
The InChIKey is AAXWQLLNLMEEQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrN3/c1-12-7-3-2-5(9)4-6(7)11-8(12)10/h2-4H,1H3,(H2,10,11).
What are the key properties of 5-bromo-1-methylbenzimidazol-2-amine?
5-bromo-1-methylbenzimidazol-2-amine has a molecular weight of 226.08 g/mol, XLogP of 1.92, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-methylbenzimidazol-2-amine is sourced from PubChem (CID 39733238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).