5,8-dimethyl-3-(2-oxopropyl)-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one

C16H17N3O2 — CID 70880369

IUPAC5,8-dimethyl-3-(2-oxopropyl)-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one
SMILESCC(=O)Cc1ncn2c1CN(C)C(=O)c1cc(C)ccc1-2
InChIInChI=1S/C16H17N3O2/c1-10-4-5-14-12(6-10)16(21)18(3)8-15-13(7-11(2)20)17-9-19(14)15/h4-6,9H,7-8H2,1-3H3
InChIKeyXJYJQXCUFYHGDD-UHFFFAOYSA-N
MW283.33 g/mol
LogP1.90
Rot. Bonds2

About 5,8-dimethyl-3-(2-oxopropyl)-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one

5,8-dimethyl-3-(2-oxopropyl)-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one (PubChem CID 70880369) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is 5,8-dimethyl-3-(2-oxopropyl)-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one.

Molecular Properties

Compound Name5,8-dimethyl-3-(2-oxopropyl)-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one
PubChem CID70880369
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC Name5,8-dimethyl-3-(2-oxopropyl)-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one
SMILESCC(=O)Cc1ncn2c1CN(C)C(=O)c1cc(C)ccc1-2
InChIInChI=1S/C16H17N3O2/c1-10-4-5-14-12(6-10)16(21)18(3)8-15-13(7-11(2)20)17-9-19(14)15/h4-6,9H,7-8H2,1-3H3
InChIKeyXJYJQXCUFYHGDD-UHFFFAOYSA-N
XLogP1.90
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5,8-dimethyl-3-(2-oxopropyl)-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one 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

5,8-dimethyl-3-(methylamino)-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one
CID 70880371
8-chloro-3-ethyl-5-methyl-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one
CID 10016265
N'-hydroxy-2-(5-methyl-6-oxo-4H-imidazo[1,5-a][1,4]benzodiazepin-3-yl)ethanimidamide
CID 154477456
3,5,8-trimethyl-4H-pyrrolo[1,2-a][1,4]benzodiazepin-6-one
CID 70880376
8-cyclopropyl-3-(methoxymethyl)-5-methyl-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one
CID 46214570
ethyl 8-amino-5-methyl-6-oxo-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate
CID 11771025
ethyl 8-bromo-5-methyl-6-oxo-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate
CID 10737466
8-chloro-5-methyl-6-oxo-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carbohydrazide
CID 71008767
3,5-dimethyl-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one
CID 20523282
8-fluoro-N-(2-fluoroethyl)-5-methyl-6-oxo-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxamide
CID 71521208
N-(5-methyl-6-oxo-4H-imidazo[1,5-a][1,4]benzodiazepin-3-yl)acetamide
CID 10400927
2,3-dihydroxybutanedioic acid;ethyl 8-fluoro-5-methyl-6-oxo-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate
CID 175431731

Frequently Asked Questions

What is the IUPAC name of 5,8-dimethyl-3-(2-oxopropyl)-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one?
The IUPAC name of 5,8-dimethyl-3-(2-oxopropyl)-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one (CID 70880369) is 5,8-dimethyl-3-(2-oxopropyl)-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one.
What is the SMILES notation for 5,8-dimethyl-3-(2-oxopropyl)-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one?
The canonical SMILES for 5,8-dimethyl-3-(2-oxopropyl)-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one is CC(=O)Cc1ncn2c1CN(C)C(=O)c1cc(C)ccc1-2.
What is the InChIKey of 5,8-dimethyl-3-(2-oxopropyl)-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one?
The InChIKey is XJYJQXCUFYHGDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2/c1-10-4-5-14-12(6-10)16(21)18(3)8-15-13(7-11(2)20)17-9-19(14)15/h4-6,9H,7-8H2,1-3H3.
What are the key properties of 5,8-dimethyl-3-(2-oxopropyl)-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one?
5,8-dimethyl-3-(2-oxopropyl)-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one has a molecular weight of 283.33 g/mol, XLogP of 1.90, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,8-dimethyl-3-(2-oxopropyl)-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one is sourced from PubChem (CID 70880369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).