4-[1-[4-[2-(5-fluorobenzimidazol-1-yl)ethyl]phenoxy]ethyl]phenol

C23H21FN2O2 — CID 175418472

IUPAC4-[1-[4-[2-(5-fluorobenzimidazol-1-yl)ethyl]phenoxy]ethyl]phenol
SMILESCC(Oc1ccc(CCn2cnc3cc(F)ccc32)cc1)c1ccc(O)cc1
InChIInChI=1S/C23H21FN2O2/c1-16(18-4-7-20(27)8-5-18)28-21-9-2-17(3-10-21)12-13-26-15-25-22-14-19(24)6-11-23(22)26/h2-11,14-16,27H,12-13H2,1H3
InChIKeyRGWUADYXQLAVJN-UHFFFAOYSA-N
MW376.43 g/mol
LogP5.26
Rot. Bonds6

About 4-[1-[4-[2-(5-fluorobenzimidazol-1-yl)ethyl]phenoxy]ethyl]phenol

4-[1-[4-[2-(5-fluorobenzimidazol-1-yl)ethyl]phenoxy]ethyl]phenol (PubChem CID 175418472) has the molecular formula C23H21FN2O2 and a molecular weight of 376.43 g/mol. Its IUPAC name is 4-[1-[4-[2-(5-fluorobenzimidazol-1-yl)ethyl]phenoxy]ethyl]phenol.

Molecular Properties

Compound Name4-[1-[4-[2-(5-fluorobenzimidazol-1-yl)ethyl]phenoxy]ethyl]phenol
PubChem CID175418472
Molecular FormulaC23H21FN2O2
Molecular Weight376.43 g/mol
Exact Mass376.16
IUPAC Name4-[1-[4-[2-(5-fluorobenzimidazol-1-yl)ethyl]phenoxy]ethyl]phenol
SMILESCC(Oc1ccc(CCn2cnc3cc(F)ccc32)cc1)c1ccc(O)cc1
InChIInChI=1S/C23H21FN2O2/c1-16(18-4-7-20(27)8-5-18)28-21-9-2-17(3-10-21)12-13-26-15-25-22-14-19(24)6-11-23(22)26/h2-11,14-16,27H,12-13H2,1H3
InChIKeyRGWUADYXQLAVJN-UHFFFAOYSA-N
XLogP5.26
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.43
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-(5-fluorobenzimidazol-1-yl)ethyl]phenol;hydrochloride
CID 168868332
1-butyl-5-fluorobenzimidazole
CID 134239298
1-[2-[(4-fluorophenyl)methylcarbamoylamino]ethyl]-N-propan-2-ylbenzimidazole-5-carboxamide
CID 20975005
3-[1-[(4-hydroxyphenyl)methyl]benzimidazol-5-yl]propanamide
CID 143018767
1-(2-phenylethyl)benzimidazole;hydrochloride
CID 54604941
3-(benzimidazol-1-yl)-N-[2-(4-fluorophenyl)ethyl]propanamide
CID 36842954
[4-[2-(5-fluorobenzimidazol-1-yl)ethyl]piperazin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 126858225
N-[1-(2-phenylethyl)benzimidazol-5-yl]methanesulfonamide
CID 17139121
7-fluoro-3-[(4-methoxyphenyl)methyl]quinazolin-4-one
CID 118722436
1-[2-[(3-fluorophenyl)carbamoylamino]ethyl]-N-propan-2-ylbenzimidazole-5-carboxamide
CID 20974974
N-(2,4-difluorophenyl)-2-[[4-ethyl-5-[1-(4-ethylphenoxy)ethyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 19639050
2-(benzimidazol-1-yl)-1-(2,4-difluorophenyl)ethanone
CID 43612592

Frequently Asked Questions

What is the IUPAC name of 4-[1-[4-[2-(5-fluorobenzimidazol-1-yl)ethyl]phenoxy]ethyl]phenol?
The IUPAC name of 4-[1-[4-[2-(5-fluorobenzimidazol-1-yl)ethyl]phenoxy]ethyl]phenol (CID 175418472) is 4-[1-[4-[2-(5-fluorobenzimidazol-1-yl)ethyl]phenoxy]ethyl]phenol.
What is the SMILES notation for 4-[1-[4-[2-(5-fluorobenzimidazol-1-yl)ethyl]phenoxy]ethyl]phenol?
The canonical SMILES for 4-[1-[4-[2-(5-fluorobenzimidazol-1-yl)ethyl]phenoxy]ethyl]phenol is CC(Oc1ccc(CCn2cnc3cc(F)ccc32)cc1)c1ccc(O)cc1.
What is the InChIKey of 4-[1-[4-[2-(5-fluorobenzimidazol-1-yl)ethyl]phenoxy]ethyl]phenol?
The InChIKey is RGWUADYXQLAVJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN2O2/c1-16(18-4-7-20(27)8-5-18)28-21-9-2-17(3-10-21)12-13-26-15-25-22-14-19(24)6-11-23(22)26/h2-11,14-16,27H,12-13H2,1H3.
What are the key properties of 4-[1-[4-[2-(5-fluorobenzimidazol-1-yl)ethyl]phenoxy]ethyl]phenol?
4-[1-[4-[2-(5-fluorobenzimidazol-1-yl)ethyl]phenoxy]ethyl]phenol has a molecular weight of 376.43 g/mol, XLogP of 5.26, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[4-[2-(5-fluorobenzimidazol-1-yl)ethyl]phenoxy]ethyl]phenol is sourced from PubChem (CID 175418472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).