4-[1-(6-fluoro-1H-benzimidazol-2-yl)-2-methylpropyl]morpholine

C15H20FN3O — CID 82336517

IUPAC4-[1-(6-fluoro-1H-benzimidazol-2-yl)-2-methylpropyl]morpholine
SMILESCC(C)C(c1nc2ccc(F)cc2[nH]1)N1CCOCC1
InChIInChI=1S/C15H20FN3O/c1-10(2)14(19-5-7-20-8-6-19)15-17-12-4-3-11(16)9-13(12)18-15/h3-4,9-10,14H,5-8H2,1-2H3,(H,17,18)
InChIKeyYXLLVBMUGQLORX-UHFFFAOYSA-N
MW277.34 g/mol
LogP2.73
Rot. Bonds3

About 4-[1-(6-fluoro-1H-benzimidazol-2-yl)-2-methylpropyl]morpholine

4-[1-(6-fluoro-1H-benzimidazol-2-yl)-2-methylpropyl]morpholine (PubChem CID 82336517) has the molecular formula C15H20FN3O and a molecular weight of 277.34 g/mol. Its IUPAC name is 4-[1-(6-fluoro-1H-benzimidazol-2-yl)-2-methylpropyl]morpholine.

Molecular Properties

Compound Name4-[1-(6-fluoro-1H-benzimidazol-2-yl)-2-methylpropyl]morpholine
PubChem CID82336517
Molecular FormulaC15H20FN3O
Molecular Weight277.34 g/mol
Exact Mass277.16
IUPAC Name4-[1-(6-fluoro-1H-benzimidazol-2-yl)-2-methylpropyl]morpholine
SMILESCC(C)C(c1nc2ccc(F)cc2[nH]1)N1CCOCC1
InChIInChI=1S/C15H20FN3O/c1-10(2)14(19-5-7-20-8-6-19)15-17-12-4-3-11(16)9-13(12)18-15/h3-4,9-10,14H,5-8H2,1-2H3,(H,17,18)
InChIKeyYXLLVBMUGQLORX-UHFFFAOYSA-N
XLogP2.73
TPSA41.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.34
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(6-fluoro-1H-benzimidazol-2-yl)-2-methylpropyl]morpholine?
The IUPAC name of 4-[1-(6-fluoro-1H-benzimidazol-2-yl)-2-methylpropyl]morpholine (CID 82336517) is 4-[1-(6-fluoro-1H-benzimidazol-2-yl)-2-methylpropyl]morpholine.
What is the SMILES notation for 4-[1-(6-fluoro-1H-benzimidazol-2-yl)-2-methylpropyl]morpholine?
The canonical SMILES for 4-[1-(6-fluoro-1H-benzimidazol-2-yl)-2-methylpropyl]morpholine is CC(C)C(c1nc2ccc(F)cc2[nH]1)N1CCOCC1.
What is the InChIKey of 4-[1-(6-fluoro-1H-benzimidazol-2-yl)-2-methylpropyl]morpholine?
The InChIKey is YXLLVBMUGQLORX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN3O/c1-10(2)14(19-5-7-20-8-6-19)15-17-12-4-3-11(16)9-13(12)18-15/h3-4,9-10,14H,5-8H2,1-2H3,(H,17,18).
What are the key properties of 4-[1-(6-fluoro-1H-benzimidazol-2-yl)-2-methylpropyl]morpholine?
4-[1-(6-fluoro-1H-benzimidazol-2-yl)-2-methylpropyl]morpholine has a molecular weight of 277.34 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(6-fluoro-1H-benzimidazol-2-yl)-2-methylpropyl]morpholine is sourced from PubChem (CID 82336517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).