[2-(2,6-difluorophenyl)-1-[(2,6-difluorophenyl)methyl]benzimidazol-4-yl]methyl acetate

C23H16F4N2O2 — CID 22482478

IUPAC[2-(2,6-difluorophenyl)-1-[(2,6-difluorophenyl)methyl]benzimidazol-4-yl]methyl acetate
SMILESCC(=O)OCc1cccc2c1nc(-c1c(F)cccc1F)n2Cc1c(F)cccc1F
InChIInChI=1S/C23H16F4N2O2/c1-13(30)31-12-14-5-2-10-20-22(14)28-23(21-18(26)8-4-9-19(21)27)29(20)11-15-16(24)6-3-7-17(15)25/h2-10H,11-12H2,1H3
InChIKeyOEFKKIOENWZRER-UHFFFAOYSA-N
MW428.39 g/mol
LogP5.37
Rot. Bonds5

About [2-(2,6-difluorophenyl)-1-[(2,6-difluorophenyl)methyl]benzimidazol-4-yl]methyl acetate

[2-(2,6-difluorophenyl)-1-[(2,6-difluorophenyl)methyl]benzimidazol-4-yl]methyl acetate (PubChem CID 22482478) has the molecular formula C23H16F4N2O2 and a molecular weight of 428.39 g/mol. Its IUPAC name is [2-(2,6-difluorophenyl)-1-[(2,6-difluorophenyl)methyl]benzimidazol-4-yl]methyl acetate.

Molecular Properties

Compound Name[2-(2,6-difluorophenyl)-1-[(2,6-difluorophenyl)methyl]benzimidazol-4-yl]methyl acetate
PubChem CID22482478
Molecular FormulaC23H16F4N2O2
Molecular Weight428.39 g/mol
Exact Mass428.11
IUPAC Name[2-(2,6-difluorophenyl)-1-[(2,6-difluorophenyl)methyl]benzimidazol-4-yl]methyl acetate
SMILESCC(=O)OCc1cccc2c1nc(-c1c(F)cccc1F)n2Cc1c(F)cccc1F
InChIInChI=1S/C23H16F4N2O2/c1-13(30)31-12-14-5-2-10-20-22(14)28-23(21-18(26)8-4-9-19(21)27)29(20)11-15-16(24)6-3-7-17(15)25/h2-10H,11-12H2,1H3
InChIKeyOEFKKIOENWZRER-UHFFFAOYSA-N
XLogP5.37
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.39
LogP ≤ 55.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(2,6-difluorophenyl)-1-[(2,6-difluorophenyl)methyl]benzimidazol-4-yl]methyl acetate?
The IUPAC name of [2-(2,6-difluorophenyl)-1-[(2,6-difluorophenyl)methyl]benzimidazol-4-yl]methyl acetate (CID 22482478) is [2-(2,6-difluorophenyl)-1-[(2,6-difluorophenyl)methyl]benzimidazol-4-yl]methyl acetate.
What is the SMILES notation for [2-(2,6-difluorophenyl)-1-[(2,6-difluorophenyl)methyl]benzimidazol-4-yl]methyl acetate?
The canonical SMILES for [2-(2,6-difluorophenyl)-1-[(2,6-difluorophenyl)methyl]benzimidazol-4-yl]methyl acetate is CC(=O)OCc1cccc2c1nc(-c1c(F)cccc1F)n2Cc1c(F)cccc1F.
What is the InChIKey of [2-(2,6-difluorophenyl)-1-[(2,6-difluorophenyl)methyl]benzimidazol-4-yl]methyl acetate?
The InChIKey is OEFKKIOENWZRER-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16F4N2O2/c1-13(30)31-12-14-5-2-10-20-22(14)28-23(21-18(26)8-4-9-19(21)27)29(20)11-15-16(24)6-3-7-17(15)25/h2-10H,11-12H2,1H3.
What are the key properties of [2-(2,6-difluorophenyl)-1-[(2,6-difluorophenyl)methyl]benzimidazol-4-yl]methyl acetate?
[2-(2,6-difluorophenyl)-1-[(2,6-difluorophenyl)methyl]benzimidazol-4-yl]methyl acetate has a molecular weight of 428.39 g/mol, XLogP of 5.37, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,6-difluorophenyl)-1-[(2,6-difluorophenyl)methyl]benzimidazol-4-yl]methyl acetate is sourced from PubChem (CID 22482478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).