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

C14H16N4O — CID 70880371

IUPAC5,8-dimethyl-3-(methylamino)-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one
SMILESCNc1ncn2c1CN(C)C(=O)c1cc(C)ccc1-2
InChIInChI=1S/C14H16N4O/c1-9-4-5-11-10(6-9)14(19)17(3)7-12-13(15-2)16-8-18(11)12/h4-6,8,15H,7H2,1-3H3
InChIKeySTKRSLFRFCMAJJ-UHFFFAOYSA-N
MW256.31 g/mol
LogP1.81
Rot. Bonds1

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

5,8-dimethyl-3-(methylamino)-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one (PubChem CID 70880371) has the molecular formula C14H16N4O and a molecular weight of 256.31 g/mol. Its IUPAC name is 5,8-dimethyl-3-(methylamino)-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one.

Molecular Properties

Compound Name5,8-dimethyl-3-(methylamino)-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one
PubChem CID70880371
Molecular FormulaC14H16N4O
Molecular Weight256.31 g/mol
Exact Mass256.13
IUPAC Name5,8-dimethyl-3-(methylamino)-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one
SMILESCNc1ncn2c1CN(C)C(=O)c1cc(C)ccc1-2
InChIInChI=1S/C14H16N4O/c1-9-4-5-11-10(6-9)14(19)17(3)7-12-13(15-2)16-8-18(11)12/h4-6,8,15H,7H2,1-3H3
InChIKeySTKRSLFRFCMAJJ-UHFFFAOYSA-N
XLogP1.81
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5,8-dimethyl-3-(methylamino)-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-(2-oxopropyl)-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one
CID 70880369
3,5,8-trimethyl-4H-pyrrolo[1,2-a][1,4]benzodiazepin-6-one
CID 70880376
N-(5-methyl-6-oxo-4H-imidazo[1,5-a][1,4]benzodiazepin-3-yl)acetamide
CID 10400927
3,5-dimethyl-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one
CID 20523282
8-chloro-3-ethyl-5-methyl-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one
CID 10016265
3-ethynyl-8-fluoro-5-methyl-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one
CID 19851546
8-chloro-5-methyl-6-oxo-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carbohydrazide
CID 71008767
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-fluoro-N-(2-fluoroethyl)-5-methyl-6-oxo-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxamide
CID 71521208
8-fluoro-5-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one
CID 14590439

Frequently Asked Questions

What is the IUPAC name of 5,8-dimethyl-3-(methylamino)-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one?
The IUPAC name of 5,8-dimethyl-3-(methylamino)-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one (CID 70880371) is 5,8-dimethyl-3-(methylamino)-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one.
What is the SMILES notation for 5,8-dimethyl-3-(methylamino)-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one?
The canonical SMILES for 5,8-dimethyl-3-(methylamino)-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one is CNc1ncn2c1CN(C)C(=O)c1cc(C)ccc1-2.
What is the InChIKey of 5,8-dimethyl-3-(methylamino)-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one?
The InChIKey is STKRSLFRFCMAJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O/c1-9-4-5-11-10(6-9)14(19)17(3)7-12-13(15-2)16-8-18(11)12/h4-6,8,15H,7H2,1-3H3.
What are the key properties of 5,8-dimethyl-3-(methylamino)-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one?
5,8-dimethyl-3-(methylamino)-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one has a molecular weight of 256.31 g/mol, XLogP of 1.81, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,8-dimethyl-3-(methylamino)-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one is sourced from PubChem (CID 70880371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).