2-[(6-fluoro-1H-benzimidazol-2-yl)oxymethyl]-6-methylmorpholine

C13H16FN3O2 — CID 103295502

IUPAC2-[(6-fluoro-1H-benzimidazol-2-yl)oxymethyl]-6-methylmorpholine
SMILESCC1CNCC(COc2nc3ccc(F)cc3[nH]2)O1
InChIInChI=1S/C13H16FN3O2/c1-8-5-15-6-10(19-8)7-18-13-16-11-3-2-9(14)4-12(11)17-13/h2-4,8,10,15H,5-7H2,1H3,(H,16,17)
InChIKeySQSJXINGXZMNHR-UHFFFAOYSA-N
MW265.29 g/mol
LogP1.46
Rot. Bonds3

About 2-[(6-fluoro-1H-benzimidazol-2-yl)oxymethyl]-6-methylmorpholine

2-[(6-fluoro-1H-benzimidazol-2-yl)oxymethyl]-6-methylmorpholine (PubChem CID 103295502) has the molecular formula C13H16FN3O2 and a molecular weight of 265.29 g/mol. Its IUPAC name is 2-[(6-fluoro-1H-benzimidazol-2-yl)oxymethyl]-6-methylmorpholine.

Molecular Properties

Compound Name2-[(6-fluoro-1H-benzimidazol-2-yl)oxymethyl]-6-methylmorpholine
PubChem CID103295502
Molecular FormulaC13H16FN3O2
Molecular Weight265.29 g/mol
Exact Mass265.12
IUPAC Name2-[(6-fluoro-1H-benzimidazol-2-yl)oxymethyl]-6-methylmorpholine
SMILESCC1CNCC(COc2nc3ccc(F)cc3[nH]2)O1
InChIInChI=1S/C13H16FN3O2/c1-8-5-15-6-10(19-8)7-18-13-16-11-3-2-9(14)4-12(11)17-13/h2-4,8,10,15H,5-7H2,1H3,(H,16,17)
InChIKeySQSJXINGXZMNHR-UHFFFAOYSA-N
XLogP1.46
TPSA59.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.29
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2,4-difluorophenyl)methyl]-6-methylmorpholine
CID 82287919
2-[(3-fluorophenyl)methoxymethyl]-6-methylmorpholine
CID 102633920
(2R,6R)-2-methyl-6-(phenoxymethyl)morpholine
CID 95439704
2-methyl-6-[[2-(trifluoromethyl)phenoxy]methyl]morpholine
CID 102635361
2-methyl-6-[(5-methyl-2-pyridinyl)oxymethyl]morpholine
CID 102635037
1-[(6-fluoro-1H-benzimidazol-2-yl)oxymethyl]cycloheptan-1-amine
CID 103295487
2-[1-(azetidin-3-yl)ethyl]-6-fluoro-1H-benzimidazole
CID 116682100
2-[(4-methoxy-6-methylpyrimidin-2-yl)oxymethyl]-6-methylmorpholine
CID 102634862
2-[(3-bromo-5-chloro-2-pyridinyl)oxymethyl]-6-methylmorpholine
CID 102635416
trimethyl-[(6-methylmorpholin-2-yl)methoxy]silane
CID 102633580
ethane;6-fluoro-2-methyl-1H-benzimidazole
CID 142961640
1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-[(6-fluoro-1H-benzimidazol-2-yl)methoxy]ethanone
CID 118774627

Frequently Asked Questions

What is the IUPAC name of 2-[(6-fluoro-1H-benzimidazol-2-yl)oxymethyl]-6-methylmorpholine?
The IUPAC name of 2-[(6-fluoro-1H-benzimidazol-2-yl)oxymethyl]-6-methylmorpholine (CID 103295502) is 2-[(6-fluoro-1H-benzimidazol-2-yl)oxymethyl]-6-methylmorpholine.
What is the SMILES notation for 2-[(6-fluoro-1H-benzimidazol-2-yl)oxymethyl]-6-methylmorpholine?
The canonical SMILES for 2-[(6-fluoro-1H-benzimidazol-2-yl)oxymethyl]-6-methylmorpholine is CC1CNCC(COc2nc3ccc(F)cc3[nH]2)O1.
What is the InChIKey of 2-[(6-fluoro-1H-benzimidazol-2-yl)oxymethyl]-6-methylmorpholine?
The InChIKey is SQSJXINGXZMNHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN3O2/c1-8-5-15-6-10(19-8)7-18-13-16-11-3-2-9(14)4-12(11)17-13/h2-4,8,10,15H,5-7H2,1H3,(H,16,17).
What are the key properties of 2-[(6-fluoro-1H-benzimidazol-2-yl)oxymethyl]-6-methylmorpholine?
2-[(6-fluoro-1H-benzimidazol-2-yl)oxymethyl]-6-methylmorpholine has a molecular weight of 265.29 g/mol, XLogP of 1.46, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-fluoro-1H-benzimidazol-2-yl)oxymethyl]-6-methylmorpholine is sourced from PubChem (CID 103295502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).