N-(5-methyl-6-oxo-4H-imidazo[1,5-a][1,4]benzodiazepin-3-yl)acetamide

C14H14N4O2 — CID 10400927

IUPACN-(5-methyl-6-oxo-4H-imidazo[1,5-a][1,4]benzodiazepin-3-yl)acetamide
SMILESCC(=O)Nc1ncn2c1CN(C)C(=O)c1ccccc1-2
InChIInChI=1S/C14H14N4O2/c1-9(19)16-13-12-7-17(2)14(20)10-5-3-4-6-11(10)18(12)8-15-13/h3-6,8H,7H2,1-2H3,(H,16,19)
InChIKeyPYYFFOCMZLCOLQ-UHFFFAOYSA-N
MW270.29 g/mol
LogP1.42
Rot. Bonds1

About N-(5-methyl-6-oxo-4H-imidazo[1,5-a][1,4]benzodiazepin-3-yl)acetamide

N-(5-methyl-6-oxo-4H-imidazo[1,5-a][1,4]benzodiazepin-3-yl)acetamide (PubChem CID 10400927) has the molecular formula C14H14N4O2 and a molecular weight of 270.29 g/mol. Its IUPAC name is N-(5-methyl-6-oxo-4H-imidazo[1,5-a][1,4]benzodiazepin-3-yl)acetamide.

Molecular Properties

Compound NameN-(5-methyl-6-oxo-4H-imidazo[1,5-a][1,4]benzodiazepin-3-yl)acetamide
PubChem CID10400927
Molecular FormulaC14H14N4O2
Molecular Weight270.29 g/mol
Exact Mass270.11
IUPAC NameN-(5-methyl-6-oxo-4H-imidazo[1,5-a][1,4]benzodiazepin-3-yl)acetamide
SMILESCC(=O)Nc1ncn2c1CN(C)C(=O)c1ccccc1-2
InChIInChI=1S/C14H14N4O2/c1-9(19)16-13-12-7-17(2)14(20)10-5-3-4-6-11(10)18(12)8-15-13/h3-6,8H,7H2,1-2H3,(H,16,19)
InChIKeyPYYFFOCMZLCOLQ-UHFFFAOYSA-N
XLogP1.42
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(5-methyl-6-oxo-4H-imidazo[1,5-a][1,4]benzodiazepin-3-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,5-dimethyl-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one
CID 20523282
5-methyl-3-prop-1-ynyl-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one
CID 19851551
3-(5-methyl-6-oxo-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carbonyl)oxypropyl 5-methyl-6-oxo-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate
CID 71214680
N'-hydroxy-2-(5-methyl-6-oxo-4H-imidazo[1,5-a][1,4]benzodiazepin-3-yl)ethanimidamide
CID 154477456
5,8-dimethyl-3-(methylamino)-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one
CID 70880371
5,8-dimethyl-3-(2-oxopropyl)-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one
CID 70880369
8-chloro-5-methyl-6-oxo-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carbohydrazide
CID 71008767
5-methyl-6-oxo-1-propan-2-yl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylic acid
CID 70041867
CID 18334383
CID 18334383
8-fluoro-N-(2-fluoroethyl)-5-methyl-6-oxo-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxamide
CID 71521208
ethyl 8-amino-5-methyl-6-oxo-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate
CID 11771025
8-chloro-3-ethyl-5-methyl-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one
CID 10016265

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-6-oxo-4H-imidazo[1,5-a][1,4]benzodiazepin-3-yl)acetamide?
The IUPAC name of N-(5-methyl-6-oxo-4H-imidazo[1,5-a][1,4]benzodiazepin-3-yl)acetamide (CID 10400927) is N-(5-methyl-6-oxo-4H-imidazo[1,5-a][1,4]benzodiazepin-3-yl)acetamide.
What is the SMILES notation for N-(5-methyl-6-oxo-4H-imidazo[1,5-a][1,4]benzodiazepin-3-yl)acetamide?
The canonical SMILES for N-(5-methyl-6-oxo-4H-imidazo[1,5-a][1,4]benzodiazepin-3-yl)acetamide is CC(=O)Nc1ncn2c1CN(C)C(=O)c1ccccc1-2.
What is the InChIKey of N-(5-methyl-6-oxo-4H-imidazo[1,5-a][1,4]benzodiazepin-3-yl)acetamide?
The InChIKey is PYYFFOCMZLCOLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O2/c1-9(19)16-13-12-7-17(2)14(20)10-5-3-4-6-11(10)18(12)8-15-13/h3-6,8H,7H2,1-2H3,(H,16,19).
What are the key properties of N-(5-methyl-6-oxo-4H-imidazo[1,5-a][1,4]benzodiazepin-3-yl)acetamide?
N-(5-methyl-6-oxo-4H-imidazo[1,5-a][1,4]benzodiazepin-3-yl)acetamide has a molecular weight of 270.29 g/mol, XLogP of 1.42, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-6-oxo-4H-imidazo[1,5-a][1,4]benzodiazepin-3-yl)acetamide is sourced from PubChem (CID 10400927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).