5-methyl-2-phenyl-2,3-dihydro-1H-1,5-benzodiazepin-4-one

C16H16N2O — CID 2824992

IUPAC5-methyl-2-phenyl-2,3-dihydro-1H-1,5-benzodiazepin-4-one
SMILESCN1C(=O)CC(c2ccccc2)Nc2ccccc21
InChIInChI=1S/C16H16N2O/c1-18-15-10-6-5-9-13(15)17-14(11-16(18)19)12-7-3-2-4-8-12/h2-10,14,17H,11H2,1H3
InChIKeyFHOSJKIPIAZPJP-UHFFFAOYSA-N
MW252.32 g/mol
LogP3.21
Rot. Bonds1

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

5-methyl-2-phenyl-2,3-dihydro-1H-1,5-benzodiazepin-4-one (PubChem CID 2824992) has the molecular formula C16H16N2O and a molecular weight of 252.32 g/mol. Its IUPAC name is 5-methyl-2-phenyl-2,3-dihydro-1H-1,5-benzodiazepin-4-one.

Molecular Properties

Compound Name5-methyl-2-phenyl-2,3-dihydro-1H-1,5-benzodiazepin-4-one
PubChem CID2824992
Molecular FormulaC16H16N2O
Molecular Weight252.32 g/mol
Exact Mass252.13
IUPAC Name5-methyl-2-phenyl-2,3-dihydro-1H-1,5-benzodiazepin-4-one
SMILESCN1C(=O)CC(c2ccccc2)Nc2ccccc21
InChIInChI=1S/C16H16N2O/c1-18-15-10-6-5-9-13(15)17-14(11-16(18)19)12-7-3-2-4-8-12/h2-10,14,17H,11H2,1H3
InChIKeyFHOSJKIPIAZPJP-UHFFFAOYSA-N
XLogP3.21
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-methyl-2-phenyl-2,3-dihydro-1H-1,5-benzodiazepin-4-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 5-methyl-2-phenyl-2,3-dihydro-1H-1,5-benzodiazepin-4-one?
The IUPAC name of 5-methyl-2-phenyl-2,3-dihydro-1H-1,5-benzodiazepin-4-one (CID 2824992) is 5-methyl-2-phenyl-2,3-dihydro-1H-1,5-benzodiazepin-4-one.
What is the SMILES notation for 5-methyl-2-phenyl-2,3-dihydro-1H-1,5-benzodiazepin-4-one?
The canonical SMILES for 5-methyl-2-phenyl-2,3-dihydro-1H-1,5-benzodiazepin-4-one is CN1C(=O)CC(c2ccccc2)Nc2ccccc21.
What is the InChIKey of 5-methyl-2-phenyl-2,3-dihydro-1H-1,5-benzodiazepin-4-one?
The InChIKey is FHOSJKIPIAZPJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O/c1-18-15-10-6-5-9-13(15)17-14(11-16(18)19)12-7-3-2-4-8-12/h2-10,14,17H,11H2,1H3.
What are the key properties of 5-methyl-2-phenyl-2,3-dihydro-1H-1,5-benzodiazepin-4-one?
5-methyl-2-phenyl-2,3-dihydro-1H-1,5-benzodiazepin-4-one has a molecular weight of 252.32 g/mol, XLogP of 3.21, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-phenyl-2,3-dihydro-1H-1,5-benzodiazepin-4-one is sourced from PubChem (CID 2824992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).