1-(6-bromo-2-pyridinyl)benzimidazol-5-amine

C12H9BrN4 — CID 58217164

IUPAC1-(6-bromo-2-pyridinyl)benzimidazol-5-amine
SMILESNc1ccc2c(c1)ncn2-c1cccc(Br)n1
InChIInChI=1S/C12H9BrN4/c13-11-2-1-3-12(16-11)17-7-15-9-6-8(14)4-5-10(9)17/h1-7H,14H2
InChIKeyDHFOLLSOQCHTKK-UHFFFAOYSA-N
MW289.14 g/mol
LogP2.77
Rot. Bonds1

About 1-(6-bromo-2-pyridinyl)benzimidazol-5-amine

1-(6-bromo-2-pyridinyl)benzimidazol-5-amine (PubChem CID 58217164) has the molecular formula C12H9BrN4 and a molecular weight of 289.14 g/mol. Its IUPAC name is 1-(6-bromo-2-pyridinyl)benzimidazol-5-amine.

Molecular Properties

Compound Name1-(6-bromo-2-pyridinyl)benzimidazol-5-amine
PubChem CID58217164
Molecular FormulaC12H9BrN4
Molecular Weight289.14 g/mol
Exact Mass288.00
IUPAC Name1-(6-bromo-2-pyridinyl)benzimidazol-5-amine
SMILESNc1ccc2c(c1)ncn2-c1cccc(Br)n1
InChIInChI=1S/C12H9BrN4/c13-11-2-1-3-12(16-11)17-7-15-9-6-8(14)4-5-10(9)17/h1-7H,14H2
InChIKeyDHFOLLSOQCHTKK-UHFFFAOYSA-N
XLogP2.77
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.14
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 1-(6-bromo-2-pyridinyl)benzimidazol-5-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-(6-bromo-2-pyridinyl)benzimidazol-5-amine?
The IUPAC name of 1-(6-bromo-2-pyridinyl)benzimidazol-5-amine (CID 58217164) is 1-(6-bromo-2-pyridinyl)benzimidazol-5-amine.
What is the SMILES notation for 1-(6-bromo-2-pyridinyl)benzimidazol-5-amine?
The canonical SMILES for 1-(6-bromo-2-pyridinyl)benzimidazol-5-amine is Nc1ccc2c(c1)ncn2-c1cccc(Br)n1.
What is the InChIKey of 1-(6-bromo-2-pyridinyl)benzimidazol-5-amine?
The InChIKey is DHFOLLSOQCHTKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrN4/c13-11-2-1-3-12(16-11)17-7-15-9-6-8(14)4-5-10(9)17/h1-7H,14H2.
What are the key properties of 1-(6-bromo-2-pyridinyl)benzimidazol-5-amine?
1-(6-bromo-2-pyridinyl)benzimidazol-5-amine has a molecular weight of 289.14 g/mol, XLogP of 2.77, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-bromo-2-pyridinyl)benzimidazol-5-amine is sourced from PubChem (CID 58217164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).