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

C16H12F2N2O2 — CID 22482475

IUPAC[2-(2,6-difluorophenyl)-1H-benzimidazol-4-yl]methyl acetate
SMILESCC(=O)OCc1cccc2[nH]c(-c3c(F)cccc3F)nc12
InChIInChI=1S/C16H12F2N2O2/c1-9(21)22-8-10-4-2-7-13-15(10)20-16(19-13)14-11(17)5-3-6-12(14)18/h2-7H,8H2,1H3,(H,19,20)
InChIKeyUGZCQTSMFQPMSJ-UHFFFAOYSA-N
MW302.28 g/mol
LogP3.57
Rot. Bonds3

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

[2-(2,6-difluorophenyl)-1H-benzimidazol-4-yl]methyl acetate (PubChem CID 22482475) has the molecular formula C16H12F2N2O2 and a molecular weight of 302.28 g/mol. Its IUPAC name is [2-(2,6-difluorophenyl)-1H-benzimidazol-4-yl]methyl acetate.

Molecular Properties

Compound Name[2-(2,6-difluorophenyl)-1H-benzimidazol-4-yl]methyl acetate
PubChem CID22482475
Molecular FormulaC16H12F2N2O2
Molecular Weight302.28 g/mol
Exact Mass302.09
IUPAC Name[2-(2,6-difluorophenyl)-1H-benzimidazol-4-yl]methyl acetate
SMILESCC(=O)OCc1cccc2[nH]c(-c3c(F)cccc3F)nc12
InChIInChI=1S/C16H12F2N2O2/c1-9(21)22-8-10-4-2-7-13-15(10)20-16(19-13)14-11(17)5-3-6-12(14)18/h2-7H,8H2,1H3,(H,19,20)
InChIKeyUGZCQTSMFQPMSJ-UHFFFAOYSA-N
XLogP3.57
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.28
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(2,6-difluorophenyl)-1H-benzimidazol-4-yl]methyl acetate?
The IUPAC name of [2-(2,6-difluorophenyl)-1H-benzimidazol-4-yl]methyl acetate (CID 22482475) is [2-(2,6-difluorophenyl)-1H-benzimidazol-4-yl]methyl acetate.
What is the SMILES notation for [2-(2,6-difluorophenyl)-1H-benzimidazol-4-yl]methyl acetate?
The canonical SMILES for [2-(2,6-difluorophenyl)-1H-benzimidazol-4-yl]methyl acetate is CC(=O)OCc1cccc2[nH]c(-c3c(F)cccc3F)nc12.
What is the InChIKey of [2-(2,6-difluorophenyl)-1H-benzimidazol-4-yl]methyl acetate?
The InChIKey is UGZCQTSMFQPMSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F2N2O2/c1-9(21)22-8-10-4-2-7-13-15(10)20-16(19-13)14-11(17)5-3-6-12(14)18/h2-7H,8H2,1H3,(H,19,20).
What are the key properties of [2-(2,6-difluorophenyl)-1H-benzimidazol-4-yl]methyl acetate?
[2-(2,6-difluorophenyl)-1H-benzimidazol-4-yl]methyl acetate has a molecular weight of 302.28 g/mol, XLogP of 3.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,6-difluorophenyl)-1H-benzimidazol-4-yl]methyl acetate is sourced from PubChem (CID 22482475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).