8,9-difluoro-5,6-dihydro-4H-imidazo[1,5-a][1,5]benzodiazepine

C11H9F2N3 — CID 96607579

IUPAC8,9-difluoro-5,6-dihydro-4H-imidazo[1,5-a][1,5]benzodiazepine
SMILESFc1cc2c(cc1F)-n1cncc1CCN2
InChIInChI=1S/C11H9F2N3/c12-8-3-10-11(4-9(8)13)16-6-14-5-7(16)1-2-15-10/h3-6,15H,1-2H2
InChIKeyMZSJTIVJWNNZTG-UHFFFAOYSA-N
MW221.21 g/mol
LogP2.12
Rot. Bonds

About 8,9-difluoro-5,6-dihydro-4H-imidazo[1,5-a][1,5]benzodiazepine

8,9-difluoro-5,6-dihydro-4H-imidazo[1,5-a][1,5]benzodiazepine (PubChem CID 96607579) has the molecular formula C11H9F2N3 and a molecular weight of 221.21 g/mol. Its IUPAC name is 8,9-difluoro-5,6-dihydro-4H-imidazo[1,5-a][1,5]benzodiazepine.

Molecular Properties

Compound Name8,9-difluoro-5,6-dihydro-4H-imidazo[1,5-a][1,5]benzodiazepine
PubChem CID96607579
Molecular FormulaC11H9F2N3
Molecular Weight221.21 g/mol
Exact Mass221.08
IUPAC Name8,9-difluoro-5,6-dihydro-4H-imidazo[1,5-a][1,5]benzodiazepine
SMILESFc1cc2c(cc1F)-n1cncc1CCN2
InChIInChI=1S/C11H9F2N3/c12-8-3-10-11(4-9(8)13)16-6-14-5-7(16)1-2-15-10/h3-6,15H,1-2H2
InChIKeyMZSJTIVJWNNZTG-UHFFFAOYSA-N
XLogP2.12
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.21
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 8,9-difluoro-5,6-dihydro-4H-imidazo[1,5-a][1,5]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 8,9-difluoro-5,6-dihydro-4H-imidazo[1,5-a][1,5]benzodiazepine?
The IUPAC name of 8,9-difluoro-5,6-dihydro-4H-imidazo[1,5-a][1,5]benzodiazepine (CID 96607579) is 8,9-difluoro-5,6-dihydro-4H-imidazo[1,5-a][1,5]benzodiazepine.
What is the SMILES notation for 8,9-difluoro-5,6-dihydro-4H-imidazo[1,5-a][1,5]benzodiazepine?
The canonical SMILES for 8,9-difluoro-5,6-dihydro-4H-imidazo[1,5-a][1,5]benzodiazepine is Fc1cc2c(cc1F)-n1cncc1CCN2.
What is the InChIKey of 8,9-difluoro-5,6-dihydro-4H-imidazo[1,5-a][1,5]benzodiazepine?
The InChIKey is MZSJTIVJWNNZTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F2N3/c12-8-3-10-11(4-9(8)13)16-6-14-5-7(16)1-2-15-10/h3-6,15H,1-2H2.
What are the key properties of 8,9-difluoro-5,6-dihydro-4H-imidazo[1,5-a][1,5]benzodiazepine?
8,9-difluoro-5,6-dihydro-4H-imidazo[1,5-a][1,5]benzodiazepine has a molecular weight of 221.21 g/mol, XLogP of 2.12, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8,9-difluoro-5,6-dihydro-4H-imidazo[1,5-a][1,5]benzodiazepine is sourced from PubChem (CID 96607579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).