3-benzyl-4-methyl-1,3-dihydro-1,4-benzodiazepine-2,5-dione

C17H16N2O2 — CID 15649435

IUPAC3-benzyl-4-methyl-1,3-dihydro-1,4-benzodiazepine-2,5-dione
SMILESCN1C(=O)c2ccccc2NC(=O)C1Cc1ccccc1
InChIInChI=1S/C17H16N2O2/c1-19-15(11-12-7-3-2-4-8-12)16(20)18-14-10-6-5-9-13(14)17(19)21/h2-10,15H,11H2,1H3,(H,18,20)
InChIKeyKSQNKZMAMGACTL-UHFFFAOYSA-N
MW280.33 g/mol
LogP2.32
Rot. Bonds2

About 3-benzyl-4-methyl-1,3-dihydro-1,4-benzodiazepine-2,5-dione

3-benzyl-4-methyl-1,3-dihydro-1,4-benzodiazepine-2,5-dione (PubChem CID 15649435) has the molecular formula C17H16N2O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is 3-benzyl-4-methyl-1,3-dihydro-1,4-benzodiazepine-2,5-dione.

Molecular Properties

Compound Name3-benzyl-4-methyl-1,3-dihydro-1,4-benzodiazepine-2,5-dione
PubChem CID15649435
Molecular FormulaC17H16N2O2
Molecular Weight280.33 g/mol
Exact Mass280.12
IUPAC Name3-benzyl-4-methyl-1,3-dihydro-1,4-benzodiazepine-2,5-dione
SMILESCN1C(=O)c2ccccc2NC(=O)C1Cc1ccccc1
InChIInChI=1S/C17H16N2O2/c1-19-15(11-12-7-3-2-4-8-12)16(20)18-14-10-6-5-9-13(14)17(19)21/h2-10,15H,11H2,1H3,(H,18,20)
InChIKeyKSQNKZMAMGACTL-UHFFFAOYSA-N
XLogP2.32
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-benzyl-4-methyl-1,3-dihydro-1,4-benzodiazepine-2,5-dione?
The IUPAC name of 3-benzyl-4-methyl-1,3-dihydro-1,4-benzodiazepine-2,5-dione (CID 15649435) is 3-benzyl-4-methyl-1,3-dihydro-1,4-benzodiazepine-2,5-dione.
What is the SMILES notation for 3-benzyl-4-methyl-1,3-dihydro-1,4-benzodiazepine-2,5-dione?
The canonical SMILES for 3-benzyl-4-methyl-1,3-dihydro-1,4-benzodiazepine-2,5-dione is CN1C(=O)c2ccccc2NC(=O)C1Cc1ccccc1.
What is the InChIKey of 3-benzyl-4-methyl-1,3-dihydro-1,4-benzodiazepine-2,5-dione?
The InChIKey is KSQNKZMAMGACTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2/c1-19-15(11-12-7-3-2-4-8-12)16(20)18-14-10-6-5-9-13(14)17(19)21/h2-10,15H,11H2,1H3,(H,18,20).
What are the key properties of 3-benzyl-4-methyl-1,3-dihydro-1,4-benzodiazepine-2,5-dione?
3-benzyl-4-methyl-1,3-dihydro-1,4-benzodiazepine-2,5-dione has a molecular weight of 280.33 g/mol, XLogP of 2.32, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-4-methyl-1,3-dihydro-1,4-benzodiazepine-2,5-dione is sourced from PubChem (CID 15649435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).