5-acetyl-1-benzyl-4-methyl-3,4-dihydro-1,5-benzodiazepin-2-one

C19H20N2O2 — CID 3064877

IUPAC5-acetyl-1-benzyl-4-methyl-3,4-dihydro-1,5-benzodiazepin-2-one
SMILESCC(=O)N1c2ccccc2N(Cc2ccccc2)C(=O)CC1C
InChIInChI=1S/C19H20N2O2/c1-14-12-19(23)20(13-16-8-4-3-5-9-16)17-10-6-7-11-18(17)21(14)15(2)22/h3-11,14H,12-13H2,1-2H3
InChIKeyKGQYMZVRKCXZFR-UHFFFAOYSA-N
MW308.38 g/mol
LogP3.36
Rot. Bonds2

About 5-acetyl-1-benzyl-4-methyl-3,4-dihydro-1,5-benzodiazepin-2-one

5-acetyl-1-benzyl-4-methyl-3,4-dihydro-1,5-benzodiazepin-2-one (PubChem CID 3064877) has the molecular formula C19H20N2O2 and a molecular weight of 308.38 g/mol. Its IUPAC name is 5-acetyl-1-benzyl-4-methyl-3,4-dihydro-1,5-benzodiazepin-2-one.

Molecular Properties

Compound Name5-acetyl-1-benzyl-4-methyl-3,4-dihydro-1,5-benzodiazepin-2-one
PubChem CID3064877
Molecular FormulaC19H20N2O2
Molecular Weight308.38 g/mol
Exact Mass308.15
IUPAC Name5-acetyl-1-benzyl-4-methyl-3,4-dihydro-1,5-benzodiazepin-2-one
SMILESCC(=O)N1c2ccccc2N(Cc2ccccc2)C(=O)CC1C
InChIInChI=1S/C19H20N2O2/c1-14-12-19(23)20(13-16-8-4-3-5-9-16)17-10-6-7-11-18(17)21(14)15(2)22/h3-11,14H,12-13H2,1-2H3
InChIKeyKGQYMZVRKCXZFR-UHFFFAOYSA-N
XLogP3.36
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5-acetyl-1-benzyl-4-methyl-3,4-dihydro-1,5-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 5-acetyl-1-benzyl-4-methyl-3,4-dihydro-1,5-benzodiazepin-2-one?
The IUPAC name of 5-acetyl-1-benzyl-4-methyl-3,4-dihydro-1,5-benzodiazepin-2-one (CID 3064877) is 5-acetyl-1-benzyl-4-methyl-3,4-dihydro-1,5-benzodiazepin-2-one.
What is the SMILES notation for 5-acetyl-1-benzyl-4-methyl-3,4-dihydro-1,5-benzodiazepin-2-one?
The canonical SMILES for 5-acetyl-1-benzyl-4-methyl-3,4-dihydro-1,5-benzodiazepin-2-one is CC(=O)N1c2ccccc2N(Cc2ccccc2)C(=O)CC1C.
What is the InChIKey of 5-acetyl-1-benzyl-4-methyl-3,4-dihydro-1,5-benzodiazepin-2-one?
The InChIKey is KGQYMZVRKCXZFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2/c1-14-12-19(23)20(13-16-8-4-3-5-9-16)17-10-6-7-11-18(17)21(14)15(2)22/h3-11,14H,12-13H2,1-2H3.
What are the key properties of 5-acetyl-1-benzyl-4-methyl-3,4-dihydro-1,5-benzodiazepin-2-one?
5-acetyl-1-benzyl-4-methyl-3,4-dihydro-1,5-benzodiazepin-2-one has a molecular weight of 308.38 g/mol, XLogP of 3.36, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-1-benzyl-4-methyl-3,4-dihydro-1,5-benzodiazepin-2-one is sourced from PubChem (CID 3064877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).