6-ethoxy-2-[1-[4-[(4-fluorophenyl)methoxy]phenyl]ethyl]-1H-benzimidazole

C24H23FN2O2 — CID 89433744

IUPAC6-ethoxy-2-[1-[4-[(4-fluorophenyl)methoxy]phenyl]ethyl]-1H-benzimidazole
SMILESCCOc1ccc2nc(C(C)c3ccc(OCc4ccc(F)cc4)cc3)[nH]c2c1
InChIInChI=1S/C24H23FN2O2/c1-3-28-21-12-13-22-23(14-21)27-24(26-22)16(2)18-6-10-20(11-7-18)29-15-17-4-8-19(25)9-5-17/h4-14,16H,3,15H2,1-2H3,(H,26,27)
InChIKeyYLXNBQJDKBLEDI-UHFFFAOYSA-N
MW390.46 g/mol
LogP5.83
Rot. Bonds7

About 6-ethoxy-2-[1-[4-[(4-fluorophenyl)methoxy]phenyl]ethyl]-1H-benzimidazole

6-ethoxy-2-[1-[4-[(4-fluorophenyl)methoxy]phenyl]ethyl]-1H-benzimidazole (PubChem CID 89433744) has the molecular formula C24H23FN2O2 and a molecular weight of 390.46 g/mol. Its IUPAC name is 6-ethoxy-2-[1-[4-[(4-fluorophenyl)methoxy]phenyl]ethyl]-1H-benzimidazole.

Molecular Properties

Compound Name6-ethoxy-2-[1-[4-[(4-fluorophenyl)methoxy]phenyl]ethyl]-1H-benzimidazole
PubChem CID89433744
Molecular FormulaC24H23FN2O2
Molecular Weight390.46 g/mol
Exact Mass390.17
IUPAC Name6-ethoxy-2-[1-[4-[(4-fluorophenyl)methoxy]phenyl]ethyl]-1H-benzimidazole
SMILESCCOc1ccc2nc(C(C)c3ccc(OCc4ccc(F)cc4)cc3)[nH]c2c1
InChIInChI=1S/C24H23FN2O2/c1-3-28-21-12-13-22-23(14-21)27-24(26-22)16(2)18-6-10-20(11-7-18)29-15-17-4-8-19(25)9-5-17/h4-14,16H,3,15H2,1-2H3,(H,26,27)
InChIKeyYLXNBQJDKBLEDI-UHFFFAOYSA-N
XLogP5.83
TPSA47.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.46
LogP ≤ 55.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-fluoro-2-[1-[4-[(4-fluorophenyl)methoxy]phenyl]ethyl]-1H-imidazo[4,5-b]pyridine
CID 89433701
2-[1-[4-[(2,5-difluorophenyl)methoxy]phenyl]ethyl]-5-ethoxy-6-fluoro-1H-benzimidazole
CID 89433715
2-(1-chloroethyl)-6-ethoxy-1H-benzimidazole
CID 82331877
N-benzyl-4-[1-(6-ethoxy-1H-benzimidazol-2-yl)ethyl]benzamide
CID 89433796
6-ethoxy-2-[ethoxy-[4-(pyridin-3-ylmethoxy)phenyl]methyl]-1H-benzimidazole
CID 70648166
2-[[4-[(2,5-difluorophenyl)methoxy]phenyl]-ethoxymethyl]-6-(iodomethyl)-1H-benzimidazole
CID 89436472
6-(difluoromethoxy)-2-[1-(4-methylphenyl)ethyl]-1H-benzimidazole
CID 89433833
6-chloro-2-[[4-[(2,5-difluorophenyl)methoxy]phenyl]-ethoxymethyl]-1H-benzimidazole
CID 54673270
1-(6-ethoxy-1H-benzimidazol-2-yl)pentan-1-amine
CID 82331868
6-ethoxy-2-[1-(4-methylpiperidin-1-yl)ethyl]-1H-benzimidazole
CID 82336041
2-[6-[(4-fluorophenyl)methoxy]-1H-benzimidazol-2-yl]acetamide
CID 172638511
2-[ethoxy-[4-[(4-fluorophenyl)methoxy]phenyl]methyl]-1H-imidazo[4,5-b]pyridine
CID 70648182

Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-2-[1-[4-[(4-fluorophenyl)methoxy]phenyl]ethyl]-1H-benzimidazole?
The IUPAC name of 6-ethoxy-2-[1-[4-[(4-fluorophenyl)methoxy]phenyl]ethyl]-1H-benzimidazole (CID 89433744) is 6-ethoxy-2-[1-[4-[(4-fluorophenyl)methoxy]phenyl]ethyl]-1H-benzimidazole.
What is the SMILES notation for 6-ethoxy-2-[1-[4-[(4-fluorophenyl)methoxy]phenyl]ethyl]-1H-benzimidazole?
The canonical SMILES for 6-ethoxy-2-[1-[4-[(4-fluorophenyl)methoxy]phenyl]ethyl]-1H-benzimidazole is CCOc1ccc2nc(C(C)c3ccc(OCc4ccc(F)cc4)cc3)[nH]c2c1.
What is the InChIKey of 6-ethoxy-2-[1-[4-[(4-fluorophenyl)methoxy]phenyl]ethyl]-1H-benzimidazole?
The InChIKey is YLXNBQJDKBLEDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN2O2/c1-3-28-21-12-13-22-23(14-21)27-24(26-22)16(2)18-6-10-20(11-7-18)29-15-17-4-8-19(25)9-5-17/h4-14,16H,3,15H2,1-2H3,(H,26,27).
What are the key properties of 6-ethoxy-2-[1-[4-[(4-fluorophenyl)methoxy]phenyl]ethyl]-1H-benzimidazole?
6-ethoxy-2-[1-[4-[(4-fluorophenyl)methoxy]phenyl]ethyl]-1H-benzimidazole has a molecular weight of 390.46 g/mol, XLogP of 5.83, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-2-[1-[4-[(4-fluorophenyl)methoxy]phenyl]ethyl]-1H-benzimidazole is sourced from PubChem (CID 89433744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).