2-methyl-1-spiro[5,6-dihydroimidazo[1,2-a][1,4]benzodiazepine-4,4'-piperidine]-1'-ylpropan-1-one

C19H24N4O — CID 91915540

IUPAC2-methyl-1-spiro[5,6-dihydroimidazo[1,2-a][1,4]benzodiazepine-4,4'-piperidine]-1'-ylpropan-1-one
SMILESCC(C)C(=O)N1CCC2(CC1)NCc1ccccc1-n1ccnc12
InChIInChI=1S/C19H24N4O/c1-14(2)17(24)22-10-7-19(8-11-22)18-20-9-12-23(18)16-6-4-3-5-15(16)13-21-19/h3-6,9,12,14,21H,7-8,10-11,13H2,1-2H3
InChIKeyPCRXCDPOOSKNBX-UHFFFAOYSA-N
MW324.43 g/mol
LogP2.45
Rot. Bonds1

About 2-methyl-1-spiro[5,6-dihydroimidazo[1,2-a][1,4]benzodiazepine-4,4'-piperidine]-1'-ylpropan-1-one

2-methyl-1-spiro[5,6-dihydroimidazo[1,2-a][1,4]benzodiazepine-4,4'-piperidine]-1'-ylpropan-1-one (PubChem CID 91915540) has the molecular formula C19H24N4O and a molecular weight of 324.43 g/mol. Its IUPAC name is 2-methyl-1-spiro[5,6-dihydroimidazo[1,2-a][1,4]benzodiazepine-4,4'-piperidine]-1'-ylpropan-1-one.

Molecular Properties

Compound Name2-methyl-1-spiro[5,6-dihydroimidazo[1,2-a][1,4]benzodiazepine-4,4'-piperidine]-1'-ylpropan-1-one
PubChem CID91915540
Molecular FormulaC19H24N4O
Molecular Weight324.43 g/mol
Exact Mass324.20
IUPAC Name2-methyl-1-spiro[5,6-dihydroimidazo[1,2-a][1,4]benzodiazepine-4,4'-piperidine]-1'-ylpropan-1-one
SMILESCC(C)C(=O)N1CCC2(CC1)NCc1ccccc1-n1ccnc12
InChIInChI=1S/C19H24N4O/c1-14(2)17(24)22-10-7-19(8-11-22)18-20-9-12-23(18)16-6-4-3-5-15(16)13-21-19/h3-6,9,12,14,21H,7-8,10-11,13H2,1-2H3
InChIKeyPCRXCDPOOSKNBX-UHFFFAOYSA-N
XLogP2.45
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-methyl-1-spiro[5,6-dihydroimidazo[1,2-a][1,4]benzodiazepine-4,4'-piperidine]-1'-ylpropan-1-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-spiro[5,6-dihydroimidazo[1,2-a][1,4]benzodiazepine-4,4'-piperidine]-1'-ylpropan-1-one?
The IUPAC name of 2-methyl-1-spiro[5,6-dihydroimidazo[1,2-a][1,4]benzodiazepine-4,4'-piperidine]-1'-ylpropan-1-one (CID 91915540) is 2-methyl-1-spiro[5,6-dihydroimidazo[1,2-a][1,4]benzodiazepine-4,4'-piperidine]-1'-ylpropan-1-one.
What is the SMILES notation for 2-methyl-1-spiro[5,6-dihydroimidazo[1,2-a][1,4]benzodiazepine-4,4'-piperidine]-1'-ylpropan-1-one?
The canonical SMILES for 2-methyl-1-spiro[5,6-dihydroimidazo[1,2-a][1,4]benzodiazepine-4,4'-piperidine]-1'-ylpropan-1-one is CC(C)C(=O)N1CCC2(CC1)NCc1ccccc1-n1ccnc12.
What is the InChIKey of 2-methyl-1-spiro[5,6-dihydroimidazo[1,2-a][1,4]benzodiazepine-4,4'-piperidine]-1'-ylpropan-1-one?
The InChIKey is PCRXCDPOOSKNBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O/c1-14(2)17(24)22-10-7-19(8-11-22)18-20-9-12-23(18)16-6-4-3-5-15(16)13-21-19/h3-6,9,12,14,21H,7-8,10-11,13H2,1-2H3.
What are the key properties of 2-methyl-1-spiro[5,6-dihydroimidazo[1,2-a][1,4]benzodiazepine-4,4'-piperidine]-1'-ylpropan-1-one?
2-methyl-1-spiro[5,6-dihydroimidazo[1,2-a][1,4]benzodiazepine-4,4'-piperidine]-1'-ylpropan-1-one has a molecular weight of 324.43 g/mol, XLogP of 2.45, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-spiro[5,6-dihydroimidazo[1,2-a][1,4]benzodiazepine-4,4'-piperidine]-1'-ylpropan-1-one is sourced from PubChem (CID 91915540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).