3-benzylidene-1,2-benzodiazepine

C16H12N2 — CID 150602343

IUPAC3-benzylidene-1,2-benzodiazepine
SMILESC1=Cc2ccccc2N=NC1=Cc1ccccc1
InChIInChI=1S/C16H12N2/c1-2-6-13(7-3-1)12-15-11-10-14-8-4-5-9-16(14)18-17-15/h1-12H
InChIKeyISDFQHCXRKTBJA-UHFFFAOYSA-N
MW232.29 g/mol
LogP4.84
Rot. Bonds1

About 3-benzylidene-1,2-benzodiazepine

3-benzylidene-1,2-benzodiazepine (PubChem CID 150602343) has the molecular formula C16H12N2 and a molecular weight of 232.29 g/mol. Its IUPAC name is 3-benzylidene-1,2-benzodiazepine.

Molecular Properties

Compound Name3-benzylidene-1,2-benzodiazepine
PubChem CID150602343
Molecular FormulaC16H12N2
Molecular Weight232.29 g/mol
Exact Mass232.10
IUPAC Name3-benzylidene-1,2-benzodiazepine
SMILESC1=Cc2ccccc2N=NC1=Cc1ccccc1
InChIInChI=1S/C16H12N2/c1-2-6-13(7-3-1)12-15-11-10-14-8-4-5-9-16(14)18-17-15/h1-12H
InChIKeyISDFQHCXRKTBJA-UHFFFAOYSA-N
XLogP4.84
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 3-benzylidene-1,2-benzodiazepine?
The IUPAC name of 3-benzylidene-1,2-benzodiazepine (CID 150602343) is 3-benzylidene-1,2-benzodiazepine.
What is the SMILES notation for 3-benzylidene-1,2-benzodiazepine?
The canonical SMILES for 3-benzylidene-1,2-benzodiazepine is C1=Cc2ccccc2N=NC1=Cc1ccccc1.
What is the InChIKey of 3-benzylidene-1,2-benzodiazepine?
The InChIKey is ISDFQHCXRKTBJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2/c1-2-6-13(7-3-1)12-15-11-10-14-8-4-5-9-16(14)18-17-15/h1-12H.
What are the key properties of 3-benzylidene-1,2-benzodiazepine?
3-benzylidene-1,2-benzodiazepine has a molecular weight of 232.29 g/mol, XLogP of 4.84, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzylidene-1,2-benzodiazepine is sourced from PubChem (CID 150602343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).