2-[1-[4-[(2,5-difluorophenyl)methoxy]phenyl]ethoxymethyl]-6-fluoro-1H-benzimidazole

C23H19F3N2O2 — CID 71294532

IUPAC2-[1-[4-[(2,5-difluorophenyl)methoxy]phenyl]ethoxymethyl]-6-fluoro-1H-benzimidazole
SMILESCC(OCc1nc2ccc(F)cc2[nH]1)c1ccc(OCc2cc(F)ccc2F)cc1
InChIInChI=1S/C23H19F3N2O2/c1-14(29-13-23-27-21-9-5-18(25)11-22(21)28-23)15-2-6-19(7-3-15)30-12-16-10-17(24)4-8-20(16)26/h2-11,14H,12-13H2,1H3,(H,27,28)
InChIKeyFMZBAWHSECWXII-UHFFFAOYSA-N
MW412.41 g/mol
LogP5.84
Rot. Bonds7

About 2-[1-[4-[(2,5-difluorophenyl)methoxy]phenyl]ethoxymethyl]-6-fluoro-1H-benzimidazole

2-[1-[4-[(2,5-difluorophenyl)methoxy]phenyl]ethoxymethyl]-6-fluoro-1H-benzimidazole (PubChem CID 71294532) has the molecular formula C23H19F3N2O2 and a molecular weight of 412.41 g/mol. Its IUPAC name is 2-[1-[4-[(2,5-difluorophenyl)methoxy]phenyl]ethoxymethyl]-6-fluoro-1H-benzimidazole.

Molecular Properties

Compound Name2-[1-[4-[(2,5-difluorophenyl)methoxy]phenyl]ethoxymethyl]-6-fluoro-1H-benzimidazole
PubChem CID71294532
Molecular FormulaC23H19F3N2O2
Molecular Weight412.41 g/mol
Exact Mass412.14
IUPAC Name2-[1-[4-[(2,5-difluorophenyl)methoxy]phenyl]ethoxymethyl]-6-fluoro-1H-benzimidazole
SMILESCC(OCc1nc2ccc(F)cc2[nH]1)c1ccc(OCc2cc(F)ccc2F)cc1
InChIInChI=1S/C23H19F3N2O2/c1-14(29-13-23-27-21-9-5-18(25)11-22(21)28-23)15-2-6-19(7-3-15)30-12-16-10-17(24)4-8-20(16)26/h2-11,14H,12-13H2,1H3,(H,27,28)
InChIKeyFMZBAWHSECWXII-UHFFFAOYSA-N
XLogP5.84
TPSA47.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.41
LogP ≤ 55.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[4-[(2,5-difluorophenyl)methoxy]phenyl]ethoxymethyl]-6-fluoro-1H-benzimidazole?
The IUPAC name of 2-[1-[4-[(2,5-difluorophenyl)methoxy]phenyl]ethoxymethyl]-6-fluoro-1H-benzimidazole (CID 71294532) is 2-[1-[4-[(2,5-difluorophenyl)methoxy]phenyl]ethoxymethyl]-6-fluoro-1H-benzimidazole.
What is the SMILES notation for 2-[1-[4-[(2,5-difluorophenyl)methoxy]phenyl]ethoxymethyl]-6-fluoro-1H-benzimidazole?
The canonical SMILES for 2-[1-[4-[(2,5-difluorophenyl)methoxy]phenyl]ethoxymethyl]-6-fluoro-1H-benzimidazole is CC(OCc1nc2ccc(F)cc2[nH]1)c1ccc(OCc2cc(F)ccc2F)cc1.
What is the InChIKey of 2-[1-[4-[(2,5-difluorophenyl)methoxy]phenyl]ethoxymethyl]-6-fluoro-1H-benzimidazole?
The InChIKey is FMZBAWHSECWXII-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F3N2O2/c1-14(29-13-23-27-21-9-5-18(25)11-22(21)28-23)15-2-6-19(7-3-15)30-12-16-10-17(24)4-8-20(16)26/h2-11,14H,12-13H2,1H3,(H,27,28).
What are the key properties of 2-[1-[4-[(2,5-difluorophenyl)methoxy]phenyl]ethoxymethyl]-6-fluoro-1H-benzimidazole?
2-[1-[4-[(2,5-difluorophenyl)methoxy]phenyl]ethoxymethyl]-6-fluoro-1H-benzimidazole has a molecular weight of 412.41 g/mol, XLogP of 5.84, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[4-[(2,5-difluorophenyl)methoxy]phenyl]ethoxymethyl]-6-fluoro-1H-benzimidazole is sourced from PubChem (CID 71294532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).