2-(4,5-dihydro-1H-imidazol-2-yl)-6-fluoro-4-methyl-2,3-dihydro-1,4-benzoxazine

C12H14FN3O — CID 10354045

IUPAC2-(4,5-dihydro-1H-imidazol-2-yl)-6-fluoro-4-methyl-2,3-dihydro-1,4-benzoxazine
SMILESCN1CC(C2=NCCN2)Oc2ccc(F)cc21
InChIInChI=1S/C12H14FN3O/c1-16-7-11(12-14-4-5-15-12)17-10-3-2-8(13)6-9(10)16/h2-3,6,11H,4-5,7H2,1H3,(H,14,15)
InChIKeyJMXUOJSCQIKAFV-UHFFFAOYSA-N
MW235.26 g/mol
LogP1.02
Rot. Bonds1

About 2-(4,5-dihydro-1H-imidazol-2-yl)-6-fluoro-4-methyl-2,3-dihydro-1,4-benzoxazine

2-(4,5-dihydro-1H-imidazol-2-yl)-6-fluoro-4-methyl-2,3-dihydro-1,4-benzoxazine (PubChem CID 10354045) has the molecular formula C12H14FN3O and a molecular weight of 235.26 g/mol. Its IUPAC name is 2-(4,5-dihydro-1H-imidazol-2-yl)-6-fluoro-4-methyl-2,3-dihydro-1,4-benzoxazine.

Molecular Properties

Compound Name2-(4,5-dihydro-1H-imidazol-2-yl)-6-fluoro-4-methyl-2,3-dihydro-1,4-benzoxazine
PubChem CID10354045
Molecular FormulaC12H14FN3O
Molecular Weight235.26 g/mol
Exact Mass235.11
IUPAC Name2-(4,5-dihydro-1H-imidazol-2-yl)-6-fluoro-4-methyl-2,3-dihydro-1,4-benzoxazine
SMILESCN1CC(C2=NCCN2)Oc2ccc(F)cc21
InChIInChI=1S/C12H14FN3O/c1-16-7-11(12-14-4-5-15-12)17-10-3-2-8(13)6-9(10)16/h2-3,6,11H,4-5,7H2,1H3,(H,14,15)
InChIKeyJMXUOJSCQIKAFV-UHFFFAOYSA-N
XLogP1.02
TPSA36.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.26
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dihydro-1H-imidazol-2-yl)-6-fluoro-4-methyl-2,3-dihydro-1,4-benzoxazine?
The IUPAC name of 2-(4,5-dihydro-1H-imidazol-2-yl)-6-fluoro-4-methyl-2,3-dihydro-1,4-benzoxazine (CID 10354045) is 2-(4,5-dihydro-1H-imidazol-2-yl)-6-fluoro-4-methyl-2,3-dihydro-1,4-benzoxazine.
What is the SMILES notation for 2-(4,5-dihydro-1H-imidazol-2-yl)-6-fluoro-4-methyl-2,3-dihydro-1,4-benzoxazine?
The canonical SMILES for 2-(4,5-dihydro-1H-imidazol-2-yl)-6-fluoro-4-methyl-2,3-dihydro-1,4-benzoxazine is CN1CC(C2=NCCN2)Oc2ccc(F)cc21.
What is the InChIKey of 2-(4,5-dihydro-1H-imidazol-2-yl)-6-fluoro-4-methyl-2,3-dihydro-1,4-benzoxazine?
The InChIKey is JMXUOJSCQIKAFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN3O/c1-16-7-11(12-14-4-5-15-12)17-10-3-2-8(13)6-9(10)16/h2-3,6,11H,4-5,7H2,1H3,(H,14,15).
What are the key properties of 2-(4,5-dihydro-1H-imidazol-2-yl)-6-fluoro-4-methyl-2,3-dihydro-1,4-benzoxazine?
2-(4,5-dihydro-1H-imidazol-2-yl)-6-fluoro-4-methyl-2,3-dihydro-1,4-benzoxazine has a molecular weight of 235.26 g/mol, XLogP of 1.02, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dihydro-1H-imidazol-2-yl)-6-fluoro-4-methyl-2,3-dihydro-1,4-benzoxazine is sourced from PubChem (CID 10354045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).