imidazo[1,5-a][1,4]benzodiazepin-6-one

C11H7N3O — CID 54300538

IUPACimidazo[1,5-a][1,4]benzodiazepin-6-one
SMILESO=c1ncc2cncn2c2ccccc12
InChIInChI=1S/C11H7N3O/c15-11-9-3-1-2-4-10(9)14-7-12-5-8(14)6-13-11/h1-7H
InChIKeySDWDYYNZDCAYLF-UHFFFAOYSA-N
MW197.20 g/mol
LogP1.24
Rot. Bonds

About imidazo[1,5-a][1,4]benzodiazepin-6-one

imidazo[1,5-a][1,4]benzodiazepin-6-one (PubChem CID 54300538) has the molecular formula C11H7N3O and a molecular weight of 197.20 g/mol. Its IUPAC name is imidazo[1,5-a][1,4]benzodiazepin-6-one.

Molecular Properties

Compound Nameimidazo[1,5-a][1,4]benzodiazepin-6-one
PubChem CID54300538
Molecular FormulaC11H7N3O
Molecular Weight197.20 g/mol
Exact Mass197.06
IUPAC Nameimidazo[1,5-a][1,4]benzodiazepin-6-one
SMILESO=c1ncc2cncn2c2ccccc12
InChIInChI=1S/C11H7N3O/c15-11-9-3-1-2-4-10(9)14-7-12-5-8(14)6-13-11/h1-7H
InChIKeySDWDYYNZDCAYLF-UHFFFAOYSA-N
XLogP1.24
TPSA47.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.20
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze imidazo[1,5-a][1,4]benzodiazepin-6-one 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 imidazo[1,5-a][1,4]benzodiazepin-6-one?
The IUPAC name of imidazo[1,5-a][1,4]benzodiazepin-6-one (CID 54300538) is imidazo[1,5-a][1,4]benzodiazepin-6-one.
What is the SMILES notation for imidazo[1,5-a][1,4]benzodiazepin-6-one?
The canonical SMILES for imidazo[1,5-a][1,4]benzodiazepin-6-one is O=c1ncc2cncn2c2ccccc12.
What is the InChIKey of imidazo[1,5-a][1,4]benzodiazepin-6-one?
The InChIKey is SDWDYYNZDCAYLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7N3O/c15-11-9-3-1-2-4-10(9)14-7-12-5-8(14)6-13-11/h1-7H.
What are the key properties of imidazo[1,5-a][1,4]benzodiazepin-6-one?
imidazo[1,5-a][1,4]benzodiazepin-6-one has a molecular weight of 197.20 g/mol, XLogP of 1.24, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for imidazo[1,5-a][1,4]benzodiazepin-6-one is sourced from PubChem (CID 54300538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).