2-(6-fluoro-2-methoxy-3H-1,4-benzodioxin-2-yl)-4,5-dihydro-1H-imidazole

C12H13FN2O3 — CID 23001347

IUPAC2-(6-fluoro-2-methoxy-3H-1,4-benzodioxin-2-yl)-4,5-dihydro-1H-imidazole
SMILESCOC1(C2=NCCN2)COc2cc(F)ccc2O1
InChIInChI=1S/C12H13FN2O3/c1-16-12(11-14-4-5-15-11)7-17-10-6-8(13)2-3-9(10)18-12/h2-3,6H,4-5,7H2,1H3,(H,14,15)
InChIKeyVFOYFIVCTYQRBE-UHFFFAOYSA-N
MW252.24 g/mol
LogP0.94
Rot. Bonds2

About 2-(6-fluoro-2-methoxy-3H-1,4-benzodioxin-2-yl)-4,5-dihydro-1H-imidazole

2-(6-fluoro-2-methoxy-3H-1,4-benzodioxin-2-yl)-4,5-dihydro-1H-imidazole (PubChem CID 23001347) has the molecular formula C12H13FN2O3 and a molecular weight of 252.24 g/mol. Its IUPAC name is 2-(6-fluoro-2-methoxy-3H-1,4-benzodioxin-2-yl)-4,5-dihydro-1H-imidazole.

Molecular Properties

Compound Name2-(6-fluoro-2-methoxy-3H-1,4-benzodioxin-2-yl)-4,5-dihydro-1H-imidazole
PubChem CID23001347
Molecular FormulaC12H13FN2O3
Molecular Weight252.24 g/mol
Exact Mass252.09
IUPAC Name2-(6-fluoro-2-methoxy-3H-1,4-benzodioxin-2-yl)-4,5-dihydro-1H-imidazole
SMILESCOC1(C2=NCCN2)COc2cc(F)ccc2O1
InChIInChI=1S/C12H13FN2O3/c1-16-12(11-14-4-5-15-11)7-17-10-6-8(13)2-3-9(10)18-12/h2-3,6H,4-5,7H2,1H3,(H,14,15)
InChIKeyVFOYFIVCTYQRBE-UHFFFAOYSA-N
XLogP0.94
TPSA52.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.24
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(6-fluoro-2-methoxy-3H-1,4-benzodioxin-2-yl)-4,5-dihydro-1H-imidazole?
The IUPAC name of 2-(6-fluoro-2-methoxy-3H-1,4-benzodioxin-2-yl)-4,5-dihydro-1H-imidazole (CID 23001347) is 2-(6-fluoro-2-methoxy-3H-1,4-benzodioxin-2-yl)-4,5-dihydro-1H-imidazole.
What is the SMILES notation for 2-(6-fluoro-2-methoxy-3H-1,4-benzodioxin-2-yl)-4,5-dihydro-1H-imidazole?
The canonical SMILES for 2-(6-fluoro-2-methoxy-3H-1,4-benzodioxin-2-yl)-4,5-dihydro-1H-imidazole is COC1(C2=NCCN2)COc2cc(F)ccc2O1.
What is the InChIKey of 2-(6-fluoro-2-methoxy-3H-1,4-benzodioxin-2-yl)-4,5-dihydro-1H-imidazole?
The InChIKey is VFOYFIVCTYQRBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN2O3/c1-16-12(11-14-4-5-15-11)7-17-10-6-8(13)2-3-9(10)18-12/h2-3,6H,4-5,7H2,1H3,(H,14,15).
What are the key properties of 2-(6-fluoro-2-methoxy-3H-1,4-benzodioxin-2-yl)-4,5-dihydro-1H-imidazole?
2-(6-fluoro-2-methoxy-3H-1,4-benzodioxin-2-yl)-4,5-dihydro-1H-imidazole has a molecular weight of 252.24 g/mol, XLogP of 0.94, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-fluoro-2-methoxy-3H-1,4-benzodioxin-2-yl)-4,5-dihydro-1H-imidazole is sourced from PubChem (CID 23001347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).