2-phenyl-1H-1,5-benzodiazepine

C15H12N2 — CID 28688803

IUPAC2-phenyl-1H-1,5-benzodiazepine
SMILESC1=Nc2ccccc2NC(c2ccccc2)=C1
InChIInChI=1S/C15H12N2/c1-2-6-12(7-3-1)13-10-11-16-14-8-4-5-9-15(14)17-13/h1-11,17H
InChIKeyXOJVZWXCPXVCFJ-UHFFFAOYSA-N
MW220.28 g/mol
LogP3.86
Rot. Bonds1

About 2-phenyl-1H-1,5-benzodiazepine

2-phenyl-1H-1,5-benzodiazepine (PubChem CID 28688803) has the molecular formula C15H12N2 and a molecular weight of 220.28 g/mol. Its IUPAC name is 2-phenyl-1H-1,5-benzodiazepine.

Molecular Properties

Compound Name2-phenyl-1H-1,5-benzodiazepine
PubChem CID28688803
Molecular FormulaC15H12N2
Molecular Weight220.28 g/mol
Exact Mass220.10
IUPAC Name2-phenyl-1H-1,5-benzodiazepine
SMILESC1=Nc2ccccc2NC(c2ccccc2)=C1
InChIInChI=1S/C15H12N2/c1-2-6-12(7-3-1)13-10-11-16-14-8-4-5-9-15(14)17-13/h1-11,17H
InChIKeyXOJVZWXCPXVCFJ-UHFFFAOYSA-N
XLogP3.86
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.28
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-1H-1,5-benzodiazepine?
The IUPAC name of 2-phenyl-1H-1,5-benzodiazepine (CID 28688803) is 2-phenyl-1H-1,5-benzodiazepine.
What is the SMILES notation for 2-phenyl-1H-1,5-benzodiazepine?
The canonical SMILES for 2-phenyl-1H-1,5-benzodiazepine is C1=Nc2ccccc2NC(c2ccccc2)=C1.
What is the InChIKey of 2-phenyl-1H-1,5-benzodiazepine?
The InChIKey is XOJVZWXCPXVCFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2/c1-2-6-12(7-3-1)13-10-11-16-14-8-4-5-9-15(14)17-13/h1-11,17H.
What are the key properties of 2-phenyl-1H-1,5-benzodiazepine?
2-phenyl-1H-1,5-benzodiazepine has a molecular weight of 220.28 g/mol, XLogP of 3.86, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-1H-1,5-benzodiazepine is sourced from PubChem (CID 28688803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).