4-hydroxy-5-phenyl-3H-1,4-benzodiazepin-2-one

C15H12N2O2 — CID 619722

IUPAC4-hydroxy-5-phenyl-3H-1,4-benzodiazepin-2-one
SMILESO=C1CN(O)C(c2ccccc2)=c2ccccc2=N1
InChIInChI=1S/C15H12N2O2/c18-14-10-17(19)15(11-6-2-1-3-7-11)12-8-4-5-9-13(12)16-14/h1-9,19H,10H2
InChIKeyKNNKDOBMSILXHC-UHFFFAOYSA-N
MW252.27 g/mol
LogP0.69
Rot. Bonds1

About 4-hydroxy-5-phenyl-3H-1,4-benzodiazepin-2-one

4-hydroxy-5-phenyl-3H-1,4-benzodiazepin-2-one (PubChem CID 619722) has the molecular formula C15H12N2O2 and a molecular weight of 252.27 g/mol. Its IUPAC name is 4-hydroxy-5-phenyl-3H-1,4-benzodiazepin-2-one.

Molecular Properties

Compound Name4-hydroxy-5-phenyl-3H-1,4-benzodiazepin-2-one
PubChem CID619722
Molecular FormulaC15H12N2O2
Molecular Weight252.27 g/mol
Exact Mass252.09
IUPAC Name4-hydroxy-5-phenyl-3H-1,4-benzodiazepin-2-one
SMILESO=C1CN(O)C(c2ccccc2)=c2ccccc2=N1
InChIInChI=1S/C15H12N2O2/c18-14-10-17(19)15(11-6-2-1-3-7-11)12-8-4-5-9-13(12)16-14/h1-9,19H,10H2
InChIKeyKNNKDOBMSILXHC-UHFFFAOYSA-N
XLogP0.69
TPSA52.90 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-hydroxy-5-phenyl-3H-1,4-benzodiazepin-2-one 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 4-hydroxy-5-phenyl-3H-1,4-benzodiazepin-2-one?
The IUPAC name of 4-hydroxy-5-phenyl-3H-1,4-benzodiazepin-2-one (CID 619722) is 4-hydroxy-5-phenyl-3H-1,4-benzodiazepin-2-one.
What is the SMILES notation for 4-hydroxy-5-phenyl-3H-1,4-benzodiazepin-2-one?
The canonical SMILES for 4-hydroxy-5-phenyl-3H-1,4-benzodiazepin-2-one is O=C1CN(O)C(c2ccccc2)=c2ccccc2=N1.
What is the InChIKey of 4-hydroxy-5-phenyl-3H-1,4-benzodiazepin-2-one?
The InChIKey is KNNKDOBMSILXHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O2/c18-14-10-17(19)15(11-6-2-1-3-7-11)12-8-4-5-9-13(12)16-14/h1-9,19H,10H2.
What are the key properties of 4-hydroxy-5-phenyl-3H-1,4-benzodiazepin-2-one?
4-hydroxy-5-phenyl-3H-1,4-benzodiazepin-2-one has a molecular weight of 252.27 g/mol, XLogP of 0.69, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-5-phenyl-3H-1,4-benzodiazepin-2-one is sourced from PubChem (CID 619722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).