1-ethyl-8-fluoro-5-methyl-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one

C14H14FN3O — CID 157240171

IUPAC1-ethyl-8-fluoro-5-methyl-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one
SMILESCCc1ncc2n1-c1ccc(F)cc1C(=O)N(C)C2
InChIInChI=1S/C14H14FN3O/c1-3-13-16-7-10-8-17(2)14(19)11-6-9(15)4-5-12(11)18(10)13/h4-7H,3,8H2,1-2H3
InChIKeyAVCQCZQDQPHWBX-UHFFFAOYSA-N
MW259.28 g/mol
LogP2.16
Rot. Bonds1

About 1-ethyl-8-fluoro-5-methyl-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one

1-ethyl-8-fluoro-5-methyl-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one (PubChem CID 157240171) has the molecular formula C14H14FN3O and a molecular weight of 259.28 g/mol. Its IUPAC name is 1-ethyl-8-fluoro-5-methyl-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one.

Molecular Properties

Compound Name1-ethyl-8-fluoro-5-methyl-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one
PubChem CID157240171
Molecular FormulaC14H14FN3O
Molecular Weight259.28 g/mol
Exact Mass259.11
IUPAC Name1-ethyl-8-fluoro-5-methyl-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one
SMILESCCc1ncc2n1-c1ccc(F)cc1C(=O)N(C)C2
InChIInChI=1S/C14H14FN3O/c1-3-13-16-7-10-8-17(2)14(19)11-6-9(15)4-5-12(11)18(10)13/h4-7H,3,8H2,1-2H3
InChIKeyAVCQCZQDQPHWBX-UHFFFAOYSA-N
XLogP2.16
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.28
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-8-fluoro-5-methyl-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one?
The IUPAC name of 1-ethyl-8-fluoro-5-methyl-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one (CID 157240171) is 1-ethyl-8-fluoro-5-methyl-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one.
What is the SMILES notation for 1-ethyl-8-fluoro-5-methyl-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one?
The canonical SMILES for 1-ethyl-8-fluoro-5-methyl-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one is CCc1ncc2n1-c1ccc(F)cc1C(=O)N(C)C2.
What is the InChIKey of 1-ethyl-8-fluoro-5-methyl-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one?
The InChIKey is AVCQCZQDQPHWBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN3O/c1-3-13-16-7-10-8-17(2)14(19)11-6-9(15)4-5-12(11)18(10)13/h4-7H,3,8H2,1-2H3.
What are the key properties of 1-ethyl-8-fluoro-5-methyl-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one?
1-ethyl-8-fluoro-5-methyl-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one has a molecular weight of 259.28 g/mol, XLogP of 2.16, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-8-fluoro-5-methyl-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one is sourced from PubChem (CID 157240171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).