2H-1,5-benzodiazepine

C9H8N2 — CID 54213230

IUPAC2H-1,5-benzodiazepine
SMILESC1=CN=c2ccccc2=NC1
InChIInChI=1S/C9H8N2/c1-2-5-9-8(4-1)10-6-3-7-11-9/h1-6H,7H2
InChIKeyPXJOZBAAIGZSDU-UHFFFAOYSA-N
MW144.18 g/mol
LogP0.45
Rot. Bonds

About 2H-1,5-benzodiazepine

2H-1,5-benzodiazepine (PubChem CID 54213230) has the molecular formula C9H8N2 and a molecular weight of 144.18 g/mol. Its IUPAC name is 2H-1,5-benzodiazepine.

Molecular Properties

Compound Name2H-1,5-benzodiazepine
PubChem CID54213230
Molecular FormulaC9H8N2
Molecular Weight144.18 g/mol
Exact Mass144.07
IUPAC Name2H-1,5-benzodiazepine
SMILESC1=CN=c2ccccc2=NC1
InChIInChI=1S/C9H8N2/c1-2-5-9-8(4-1)10-6-3-7-11-9/h1-6H,7H2
InChIKeyPXJOZBAAIGZSDU-UHFFFAOYSA-N
XLogP0.45
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.18
LogP ≤ 50.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2H-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 2H-1,5-benzodiazepine?
The IUPAC name of 2H-1,5-benzodiazepine (CID 54213230) is 2H-1,5-benzodiazepine.
What is the SMILES notation for 2H-1,5-benzodiazepine?
The canonical SMILES for 2H-1,5-benzodiazepine is C1=CN=c2ccccc2=NC1.
What is the InChIKey of 2H-1,5-benzodiazepine?
The InChIKey is PXJOZBAAIGZSDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2/c1-2-5-9-8(4-1)10-6-3-7-11-9/h1-6H,7H2.
What are the key properties of 2H-1,5-benzodiazepine?
2H-1,5-benzodiazepine has a molecular weight of 144.18 g/mol, XLogP of 0.45, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2H-1,5-benzodiazepine is sourced from PubChem (CID 54213230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).