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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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).