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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Related Compounds

6-fluoro-2-[(4-fluorophenoxy)methyl]-1H-benzimidazole
CID 23613775
6-chloro-2-[[4-[(2,5-difluorophenyl)methoxy]phenyl]-ethoxymethyl]-1H-benzimidazole
CID 54673270
2-[1-[4-[(2,5-difluorophenyl)methoxy]phenyl]ethoxy]acetic acid
CID 71294679
2-[[4-[(2,5-difluorophenyl)methoxy]phenyl]-ethoxymethyl]-6-(iodomethyl)-1H-benzimidazole
CID 89436472
(1S)-1-[4-[(2,5-difluorophenyl)methoxy]phenyl]ethanol
CID 78930848
2-[1-[4-[(2,5-difluorophenyl)methoxy]phenyl]ethyl]-5-ethoxy-6-fluoro-1H-benzimidazole
CID 89433715
2-[[4-[(2,5-difluorophenyl)methoxy]phenyl]-ethoxymethyl]-5-ethoxy-6-fluoro-1H-benzimidazole
CID 70648186
6-fluoro-2-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-1H-benzimidazole
CID 71367754
6-fluoro-2-[(2-methoxyphenoxy)methyl]-1H-benzimidazole
CID 71296316
2-[(4-chlorophenoxy)methyl]-5,6-difluoro-1H-benzimidazole
CID 60979188
2-[(4-ethylphenoxy)methyl]-5,6-difluoro-1H-benzimidazole
CID 82144371
1-[4-[2-[[4-(trifluoromethyl)phenoxy]methyl]-3H-benzimidazol-5-yl]phenyl]ethanol
CID 24958716

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).