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Flumazenil

C15H14FN3O3 — CID 3373

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Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACethyl 8-fluoro-5-methyl-6-oxo-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate
SMILESCCOC(=O)c1ncn2c1CN(C)C(=O)c1cc(F)ccc1-2
InChIInChI=1S/C15H14FN3O3/c1-3-22-15(21)13-12-7-18(2)14(20)10-6-9(16)4-5-11(10)19(12)8-17-13/h4-6,8H,3,7H2,1-2H3
InChIKeyOFBIFZUFASYYRE-UHFFFAOYSA-N
MW303.29 g/mol
LogP1.77
Rot. Bonds2

About Flumazenil

Flumazenil (PubChem CID 3373) has the molecular formula C15H14FN3O3 and a molecular weight of 303.29 g/mol. Its IUPAC name is ethyl 8-fluoro-5-methyl-6-oxo-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate.

Molecular Properties

Compound NameFlumazenil
PubChem CID3373
Molecular FormulaC15H14FN3O3
Molecular Weight303.29 g/mol
Exact Mass303.10
IUPAC Nameethyl 8-fluoro-5-methyl-6-oxo-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate
SMILESCCOC(=O)c1ncn2c1CN(C)C(=O)c1cc(F)ccc1-2
InChIInChI=1S/C15H14FN3O3/c1-3-22-15(21)13-12-7-18(2)14(20)10-6-9(16)4-5-11(10)19(12)8-17-13/h4-6,8H,3,7H2,1-2H3
InChIKeyOFBIFZUFASYYRE-UHFFFAOYSA-N
XLogP1.77
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.29
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 8-azido-5-methyl-6-oxo-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate
CID 5081
L-655,708
CID 5311203
[3H]RY80
CID 5311418
Ethyl 8-bromo-5,6-dihydro-5-methyl-6-oxo-4H-imidazo(1,5-a)(1,4)benzodiazepine-3-carboxylate
CID 10737466
Sh-053-r-ch3-2'f
CID 11574585
Iomazenil
CID 10251042
Ethyl 15-chloro-12-oxo-2,4,11-triazatetracyclo[11.4.0.02,6.07,11]heptadeca-1(17),3,5,13,15-pentaene-5-carboxylate
CID 623268

Frequently Asked Questions

What is the IUPAC name of Flumazenil?
The IUPAC name of Flumazenil (CID 3373) is ethyl 8-fluoro-5-methyl-6-oxo-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate.
What is the SMILES notation for Flumazenil?
The canonical SMILES for Flumazenil is CCOC(=O)c1ncn2c1CN(C)C(=O)c1cc(F)ccc1-2.
What is the InChIKey of Flumazenil?
The InChIKey is OFBIFZUFASYYRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN3O3/c1-3-22-15(21)13-12-7-18(2)14(20)10-6-9(16)4-5-11(10)19(12)8-17-13/h4-6,8H,3,7H2,1-2H3.
What are the key properties of Flumazenil?
Flumazenil has a molecular weight of 303.29 g/mol, XLogP of 1.77, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for Flumazenil is sourced from PubChem (CID 3373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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