4-[6-fluoro-2-[(4-methoxyphenyl)methyl]-1H-benzimidazol-5-yl]morpholine

C19H20FN3O2 — CID 164517113

IUPAC4-[6-fluoro-2-[(4-methoxyphenyl)methyl]-1H-benzimidazol-5-yl]morpholine
SMILESCOc1ccc(Cc2nc3cc(N4CCOCC4)c(F)cc3[nH]2)cc1
InChIInChI=1S/C19H20FN3O2/c1-24-14-4-2-13(3-5-14)10-19-21-16-11-15(20)18(12-17(16)22-19)23-6-8-25-9-7-23/h2-5,11-12H,6-10H2,1H3,(H,21,22)
InChIKeyRSDREADXFLGEDQ-UHFFFAOYSA-N
MW341.39 g/mol
LogP3.14
Rot. Bonds4

About 4-[6-fluoro-2-[(4-methoxyphenyl)methyl]-1H-benzimidazol-5-yl]morpholine

4-[6-fluoro-2-[(4-methoxyphenyl)methyl]-1H-benzimidazol-5-yl]morpholine (PubChem CID 164517113) has the molecular formula C19H20FN3O2 and a molecular weight of 341.39 g/mol. Its IUPAC name is 4-[6-fluoro-2-[(4-methoxyphenyl)methyl]-1H-benzimidazol-5-yl]morpholine.

Molecular Properties

Compound Name4-[6-fluoro-2-[(4-methoxyphenyl)methyl]-1H-benzimidazol-5-yl]morpholine
PubChem CID164517113
Molecular FormulaC19H20FN3O2
Molecular Weight341.39 g/mol
Exact Mass341.15
IUPAC Name4-[6-fluoro-2-[(4-methoxyphenyl)methyl]-1H-benzimidazol-5-yl]morpholine
SMILESCOc1ccc(Cc2nc3cc(N4CCOCC4)c(F)cc3[nH]2)cc1
InChIInChI=1S/C19H20FN3O2/c1-24-14-4-2-13(3-5-14)10-19-21-16-11-15(20)18(12-17(16)22-19)23-6-8-25-9-7-23/h2-5,11-12H,6-10H2,1H3,(H,21,22)
InChIKeyRSDREADXFLGEDQ-UHFFFAOYSA-N
XLogP3.14
TPSA50.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.39
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[6-fluoro-2-[(4-methoxyphenyl)methyl]-1H-benzimidazol-5-yl]morpholine?
The IUPAC name of 4-[6-fluoro-2-[(4-methoxyphenyl)methyl]-1H-benzimidazol-5-yl]morpholine (CID 164517113) is 4-[6-fluoro-2-[(4-methoxyphenyl)methyl]-1H-benzimidazol-5-yl]morpholine.
What is the SMILES notation for 4-[6-fluoro-2-[(4-methoxyphenyl)methyl]-1H-benzimidazol-5-yl]morpholine?
The canonical SMILES for 4-[6-fluoro-2-[(4-methoxyphenyl)methyl]-1H-benzimidazol-5-yl]morpholine is COc1ccc(Cc2nc3cc(N4CCOCC4)c(F)cc3[nH]2)cc1.
What is the InChIKey of 4-[6-fluoro-2-[(4-methoxyphenyl)methyl]-1H-benzimidazol-5-yl]morpholine?
The InChIKey is RSDREADXFLGEDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3O2/c1-24-14-4-2-13(3-5-14)10-19-21-16-11-15(20)18(12-17(16)22-19)23-6-8-25-9-7-23/h2-5,11-12H,6-10H2,1H3,(H,21,22).
What are the key properties of 4-[6-fluoro-2-[(4-methoxyphenyl)methyl]-1H-benzimidazol-5-yl]morpholine?
4-[6-fluoro-2-[(4-methoxyphenyl)methyl]-1H-benzimidazol-5-yl]morpholine has a molecular weight of 341.39 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-fluoro-2-[(4-methoxyphenyl)methyl]-1H-benzimidazol-5-yl]morpholine is sourced from PubChem (CID 164517113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).