8-bromo-6-pyridin-2-yl-4H-imidazo[1,2-a][1,4]benzodiazepine

C16H11BrN4 — CID 21487149

IUPAC8-bromo-6-pyridin-2-yl-4H-imidazo[1,2-a][1,4]benzodiazepine
SMILESBrc1ccc2c(c1)C(c1ccccn1)=NCc1nccn1-2
InChIInChI=1S/C16H11BrN4/c17-11-4-5-14-12(9-11)16(13-3-1-2-6-18-13)20-10-15-19-7-8-21(14)15/h1-9H,10H2
InChIKeyKHQLEUJDZAJLBV-UHFFFAOYSA-N
MW339.20 g/mol
LogP3.38
Rot. Bonds1

About 8-bromo-6-pyridin-2-yl-4H-imidazo[1,2-a][1,4]benzodiazepine

8-bromo-6-pyridin-2-yl-4H-imidazo[1,2-a][1,4]benzodiazepine (PubChem CID 21487149) has the molecular formula C16H11BrN4 and a molecular weight of 339.20 g/mol. Its IUPAC name is 8-bromo-6-pyridin-2-yl-4H-imidazo[1,2-a][1,4]benzodiazepine.

Molecular Properties

Compound Name8-bromo-6-pyridin-2-yl-4H-imidazo[1,2-a][1,4]benzodiazepine
PubChem CID21487149
Molecular FormulaC16H11BrN4
Molecular Weight339.20 g/mol
Exact Mass338.02
IUPAC Name8-bromo-6-pyridin-2-yl-4H-imidazo[1,2-a][1,4]benzodiazepine
SMILESBrc1ccc2c(c1)C(c1ccccn1)=NCc1nccn1-2
InChIInChI=1S/C16H11BrN4/c17-11-4-5-14-12(9-11)16(13-3-1-2-6-18-13)20-10-15-19-7-8-21(14)15/h1-9H,10H2
InChIKeyKHQLEUJDZAJLBV-UHFFFAOYSA-N
XLogP3.38
TPSA43.07 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.20
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 8-bromo-6-pyridin-2-yl-4H-imidazo[1,2-a][1,4]benzodiazepine 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 8-bromo-6-pyridin-2-yl-4H-imidazo[1,2-a][1,4]benzodiazepine?
The IUPAC name of 8-bromo-6-pyridin-2-yl-4H-imidazo[1,2-a][1,4]benzodiazepine (CID 21487149) is 8-bromo-6-pyridin-2-yl-4H-imidazo[1,2-a][1,4]benzodiazepine.
What is the SMILES notation for 8-bromo-6-pyridin-2-yl-4H-imidazo[1,2-a][1,4]benzodiazepine?
The canonical SMILES for 8-bromo-6-pyridin-2-yl-4H-imidazo[1,2-a][1,4]benzodiazepine is Brc1ccc2c(c1)C(c1ccccn1)=NCc1nccn1-2.
What is the InChIKey of 8-bromo-6-pyridin-2-yl-4H-imidazo[1,2-a][1,4]benzodiazepine?
The InChIKey is KHQLEUJDZAJLBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11BrN4/c17-11-4-5-14-12(9-11)16(13-3-1-2-6-18-13)20-10-15-19-7-8-21(14)15/h1-9H,10H2.
What are the key properties of 8-bromo-6-pyridin-2-yl-4H-imidazo[1,2-a][1,4]benzodiazepine?
8-bromo-6-pyridin-2-yl-4H-imidazo[1,2-a][1,4]benzodiazepine has a molecular weight of 339.20 g/mol, XLogP of 3.38, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-6-pyridin-2-yl-4H-imidazo[1,2-a][1,4]benzodiazepine is sourced from PubChem (CID 21487149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).