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

C15H12N2O2 — CID 614001

IUPAC3-hydroxy-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one
SMILESO=C1Nc2ccccc2C(c2ccccc2)=NC1O
InChIInChI=1S/C15H12N2O2/c18-14-15(19)17-13(10-6-2-1-3-7-10)11-8-4-5-9-12(11)16-14/h1-9,15,19H,(H,16,18)
InChIKeyAOKGQOYNOXSOLF-UHFFFAOYSA-N
MW252.27 g/mol
LogP1.79
Rot. Bonds1

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

3-hydroxy-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one (PubChem CID 614001) has the molecular formula C15H12N2O2 and a molecular weight of 252.27 g/mol. Its IUPAC name is 3-hydroxy-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one.

Molecular Properties

Compound Name3-hydroxy-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one
PubChem CID614001
Molecular FormulaC15H12N2O2
Molecular Weight252.27 g/mol
Exact Mass252.09
IUPAC Name3-hydroxy-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one
SMILESO=C1Nc2ccccc2C(c2ccccc2)=NC1O
InChIInChI=1S/C15H12N2O2/c18-14-15(19)17-13(10-6-2-1-3-7-10)11-8-4-5-9-12(11)16-14/h1-9,15,19H,(H,16,18)
InChIKeyAOKGQOYNOXSOLF-UHFFFAOYSA-N
XLogP1.79
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one?
The IUPAC name of 3-hydroxy-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one (CID 614001) is 3-hydroxy-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one.
What is the SMILES notation for 3-hydroxy-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one?
The canonical SMILES for 3-hydroxy-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one is O=C1Nc2ccccc2C(c2ccccc2)=NC1O.
What is the InChIKey of 3-hydroxy-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one?
The InChIKey is AOKGQOYNOXSOLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O2/c18-14-15(19)17-13(10-6-2-1-3-7-10)11-8-4-5-9-12(11)16-14/h1-9,15,19H,(H,16,18).
What are the key properties of 3-hydroxy-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one?
3-hydroxy-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one has a molecular weight of 252.27 g/mol, XLogP of 1.79, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one is sourced from PubChem (CID 614001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).