1-methyl-1,4-benzodiazepine-2,5-dione

C10H8N2O2 — CID 22316535

IUPAC1-methyl-1,4-benzodiazepine-2,5-dione
SMILESCn1c(=O)cnc(=O)c2ccccc21
InChIInChI=1S/C10H8N2O2/c1-12-8-5-3-2-4-7(8)10(14)11-6-9(12)13/h2-6H,1H3
InChIKeyZTTDAMYXBZJFPC-UHFFFAOYSA-N
MW188.19 g/mol
LogP0.29
Rot. Bonds

About 1-methyl-1,4-benzodiazepine-2,5-dione

1-methyl-1,4-benzodiazepine-2,5-dione (PubChem CID 22316535) has the molecular formula C10H8N2O2 and a molecular weight of 188.19 g/mol. Its IUPAC name is 1-methyl-1,4-benzodiazepine-2,5-dione.

Molecular Properties

Compound Name1-methyl-1,4-benzodiazepine-2,5-dione
PubChem CID22316535
Molecular FormulaC10H8N2O2
Molecular Weight188.19 g/mol
Exact Mass188.06
IUPAC Name1-methyl-1,4-benzodiazepine-2,5-dione
SMILESCn1c(=O)cnc(=O)c2ccccc21
InChIInChI=1S/C10H8N2O2/c1-12-8-5-3-2-4-7(8)10(14)11-6-9(12)13/h2-6H,1H3
InChIKeyZTTDAMYXBZJFPC-UHFFFAOYSA-N
XLogP0.29
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.19
LogP ≤ 50.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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Bentazon methyl
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3-Methyl-4(3H)-quinazolinone
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Glycorine
CID 18992
3-phenyl-3H-quinazolin-4-one
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4-methyl-2,3,4,5-tetrahydro-1H-1,4-benzodiazepine-2,5-dione
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Frequently Asked Questions

What is the IUPAC name of 1-methyl-1,4-benzodiazepine-2,5-dione?
The IUPAC name of 1-methyl-1,4-benzodiazepine-2,5-dione (CID 22316535) is 1-methyl-1,4-benzodiazepine-2,5-dione.
What is the SMILES notation for 1-methyl-1,4-benzodiazepine-2,5-dione?
The canonical SMILES for 1-methyl-1,4-benzodiazepine-2,5-dione is Cn1c(=O)cnc(=O)c2ccccc21.
What is the InChIKey of 1-methyl-1,4-benzodiazepine-2,5-dione?
The InChIKey is ZTTDAMYXBZJFPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O2/c1-12-8-5-3-2-4-7(8)10(14)11-6-9(12)13/h2-6H,1H3.
What are the key properties of 1-methyl-1,4-benzodiazepine-2,5-dione?
1-methyl-1,4-benzodiazepine-2,5-dione has a molecular weight of 188.19 g/mol, XLogP of 0.29, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1,4-benzodiazepine-2,5-dione is sourced from PubChem (CID 22316535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).