2-(2-phenylethenyl)-1H-1,3-benzodiazepine

C17H14N2 — CID 140619418

IUPAC2-(2-phenylethenyl)-1H-1,3-benzodiazepine
SMILESC1=Cc2ccccc2NC(C=Cc2ccccc2)=N1
InChIInChI=1S/C17H14N2/c1-2-6-14(7-3-1)10-11-17-18-13-12-15-8-4-5-9-16(15)19-17/h1-13H,(H,18,19)
InChIKeyKZTKQQUTWKHDHI-UHFFFAOYSA-N
MW246.31 g/mol
LogP4.19
Rot. Bonds2

About 2-(2-phenylethenyl)-1H-1,3-benzodiazepine

2-(2-phenylethenyl)-1H-1,3-benzodiazepine (PubChem CID 140619418) has the molecular formula C17H14N2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 2-(2-phenylethenyl)-1H-1,3-benzodiazepine.

Molecular Properties

Compound Name2-(2-phenylethenyl)-1H-1,3-benzodiazepine
PubChem CID140619418
Molecular FormulaC17H14N2
Molecular Weight246.31 g/mol
Exact Mass246.12
IUPAC Name2-(2-phenylethenyl)-1H-1,3-benzodiazepine
SMILESC1=Cc2ccccc2NC(C=Cc2ccccc2)=N1
InChIInChI=1S/C17H14N2/c1-2-6-14(7-3-1)10-11-17-18-13-12-15-8-4-5-9-16(15)19-17/h1-13H,(H,18,19)
InChIKeyKZTKQQUTWKHDHI-UHFFFAOYSA-N
XLogP4.19
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(2-phenylethenyl)-1H-1,3-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 2-(2-phenylethenyl)-1H-1,3-benzodiazepine?
The IUPAC name of 2-(2-phenylethenyl)-1H-1,3-benzodiazepine (CID 140619418) is 2-(2-phenylethenyl)-1H-1,3-benzodiazepine.
What is the SMILES notation for 2-(2-phenylethenyl)-1H-1,3-benzodiazepine?
The canonical SMILES for 2-(2-phenylethenyl)-1H-1,3-benzodiazepine is C1=Cc2ccccc2NC(C=Cc2ccccc2)=N1.
What is the InChIKey of 2-(2-phenylethenyl)-1H-1,3-benzodiazepine?
The InChIKey is KZTKQQUTWKHDHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2/c1-2-6-14(7-3-1)10-11-17-18-13-12-15-8-4-5-9-16(15)19-17/h1-13H,(H,18,19).
What are the key properties of 2-(2-phenylethenyl)-1H-1,3-benzodiazepine?
2-(2-phenylethenyl)-1H-1,3-benzodiazepine has a molecular weight of 246.31 g/mol, XLogP of 4.19, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phenylethenyl)-1H-1,3-benzodiazepine is sourced from PubChem (CID 140619418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).