4H-imidazo[1,5-a][1,4]benzodiazepine

C11H9N3 — CID 20524940

IUPAC4H-imidazo[1,5-a][1,4]benzodiazepine
SMILESC1=NCc2cncn2-c2ccccc21
InChIInChI=1S/C11H9N3/c1-2-4-11-9(3-1)5-12-6-10-7-13-8-14(10)11/h1-5,7-8H,6H2
InChIKeyACYRKKJVMXYGCK-UHFFFAOYSA-N
MW183.21 g/mol
LogP1.80
Rot. Bonds

About 4H-imidazo[1,5-a][1,4]benzodiazepine

4H-imidazo[1,5-a][1,4]benzodiazepine (PubChem CID 20524940) has the molecular formula C11H9N3 and a molecular weight of 183.21 g/mol. Its IUPAC name is 4H-imidazo[1,5-a][1,4]benzodiazepine.

Molecular Properties

Compound Name4H-imidazo[1,5-a][1,4]benzodiazepine
PubChem CID20524940
Molecular FormulaC11H9N3
Molecular Weight183.21 g/mol
Exact Mass183.08
IUPAC Name4H-imidazo[1,5-a][1,4]benzodiazepine
SMILESC1=NCc2cncn2-c2ccccc21
InChIInChI=1S/C11H9N3/c1-2-4-11-9(3-1)5-12-6-10-7-13-8-14(10)11/h1-5,7-8H,6H2
InChIKeyACYRKKJVMXYGCK-UHFFFAOYSA-N
XLogP1.80
TPSA30.18 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4H-imidazo[1,5-a][1,4]benzodiazepine?
The IUPAC name of 4H-imidazo[1,5-a][1,4]benzodiazepine (CID 20524940) is 4H-imidazo[1,5-a][1,4]benzodiazepine.
What is the SMILES notation for 4H-imidazo[1,5-a][1,4]benzodiazepine?
The canonical SMILES for 4H-imidazo[1,5-a][1,4]benzodiazepine is C1=NCc2cncn2-c2ccccc21.
What is the InChIKey of 4H-imidazo[1,5-a][1,4]benzodiazepine?
The InChIKey is ACYRKKJVMXYGCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3/c1-2-4-11-9(3-1)5-12-6-10-7-13-8-14(10)11/h1-5,7-8H,6H2.
What are the key properties of 4H-imidazo[1,5-a][1,4]benzodiazepine?
4H-imidazo[1,5-a][1,4]benzodiazepine has a molecular weight of 183.21 g/mol, XLogP of 1.80, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4H-imidazo[1,5-a][1,4]benzodiazepine is sourced from PubChem (CID 20524940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).