3-[(p-chlorophenyl)ethynyl]-8-fluoro-4,5-dihydro-5-methyl-6H-imidazo[1,5-a][1,4]benzodiazepin-6-one

HCID 19851541
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Basic information

Standard SMILES
CN1Cc2c(C#Cc3ccc(Cl)cc3)ncn2-c2ccc(F)cc2C1=O
InChIKey
KOCMYDNYBJKMKI-UHFFFAOYSA-N
Molecular formula
C20H13ClFN3O
Average molar mass
365.8 g/mol
Monoisotopic mass
365.0731179

Names & identifiers

Preferred name
3-[(p-chlorophenyl)ethynyl]-8-fluoro-4,5-dihydro-5-methyl-6H-imidazo[1,5-a][1,4]benzodiazepin-6-one
IUPAC
3-[2-(4-chlorophenyl)ethynyl]-8-fluoro-5-methyl-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one

Names & synonyms

SCHEMBL10570105KOCMYDNYBJKMKI-UHFFFAOYSA-N3-[(p-chlorophenyl)ethynyl]-8-fluoro-4,5-dihydro-5-methyl-6H-imidazo[1,5-a][1,4]benzodiazepin-6-one

Database identifiers

PubChem CID
19851541

Properties

Computed structural properties

XLogP
3.5
Topological polar surface area
38.1 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
2
Heavy atoms
26

Related reactions

2 records
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Compound notes

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