2-fluoro-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepine

C11H9FN2O — CID 141378484

IUPAC2-fluoro-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepine
SMILESFc1cn2c(n1)-c1ccccc1OCC2
InChIInChI=1S/C11H9FN2O/c12-10-7-14-5-6-15-9-4-2-1-3-8(9)11(14)13-10/h1-4,7H,5-6H2
InChIKeyGPXIAXSPYSUDPL-UHFFFAOYSA-N
MW204.20 g/mol
LogP2.08
Rot. Bonds

About 2-fluoro-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepine

2-fluoro-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepine (PubChem CID 141378484) has the molecular formula C11H9FN2O and a molecular weight of 204.20 g/mol. Its IUPAC name is 2-fluoro-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepine.

Molecular Properties

Compound Name2-fluoro-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepine
PubChem CID141378484
Molecular FormulaC11H9FN2O
Molecular Weight204.20 g/mol
Exact Mass204.07
IUPAC Name2-fluoro-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepine
SMILESFc1cn2c(n1)-c1ccccc1OCC2
InChIInChI=1S/C11H9FN2O/c12-10-7-14-5-6-15-9-4-2-1-3-8(9)11(14)13-10/h1-4,7H,5-6H2
InChIKeyGPXIAXSPYSUDPL-UHFFFAOYSA-N
XLogP2.08
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.20
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5,6-dihydro-[1,2,4]triazolo[4,3-d][1,4]benzoxazepine
CID 89314794
10-fluoro-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepine-2-carboxylic acid
CID 71743273
3-fluoro-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepine-2-carboxamide
CID 141378464
10-ethynyl-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepine-2-carboxamide
CID 123427289
3-methyl-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepine-2-carboxamide
CID 140677479
12-chloro-4-methyl-9-oxa-3,6,13-triazatricyclo[8.4.0.02,6]tetradeca-1(14),2,4,10,12-pentaene
CID 129190889
13-(6-fluoro-3-pyridinyl)-4-(2-propan-2-yl-1,2,4-triazol-3-yl)-9-oxa-3,6,12-triazatricyclo[8.4.0.02,6]tetradeca-1(14),2,4,10,12-pentaene
CID 58204927
10-(3-hydroxy-3-methylbut-1-ynyl)-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepine-2-carboxamide
CID 71714694
4-(fluoromethyl)-3-(9-methyl-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-2-yl)-1,3-oxazolidin-2-one
CID 138511072
4-methyl-3-(9-methyl-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-2-yl)-1,3-oxazolidin-2-one
CID 145221677
10-bromo-2-(1H-imidazol-2-yl)-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepine
CID 58204942
4-[2-(4-aminopyrazol-1-yl)ethyl]-2,3-dihydro-1,4-benzoxazepin-5-one
CID 104525046

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepine?
The IUPAC name of 2-fluoro-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepine (CID 141378484) is 2-fluoro-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepine.
What is the SMILES notation for 2-fluoro-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepine?
The canonical SMILES for 2-fluoro-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepine is Fc1cn2c(n1)-c1ccccc1OCC2.
What is the InChIKey of 2-fluoro-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepine?
The InChIKey is GPXIAXSPYSUDPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9FN2O/c12-10-7-14-5-6-15-9-4-2-1-3-8(9)11(14)13-10/h1-4,7H,5-6H2.
What are the key properties of 2-fluoro-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepine?
2-fluoro-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepine has a molecular weight of 204.20 g/mol, XLogP of 2.08, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepine is sourced from PubChem (CID 141378484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).