[1-(benzimidazol-1-yl)-3-(4-fluorophenoxy)propan-2-yl] acetate

C18H17FN2O3 — CID 2945622

IUPAC[1-(benzimidazol-1-yl)-3-(4-fluorophenoxy)propan-2-yl] acetate
SMILESCC(=O)OC(COc1ccc(F)cc1)Cn1cnc2ccccc21
InChIInChI=1S/C18H17FN2O3/c1-13(22)24-16(11-23-15-8-6-14(19)7-9-15)10-21-12-20-17-4-2-3-5-18(17)21/h2-9,12,16H,10-11H2,1H3
InChIKeyYJUZOIAQBAWXMT-UHFFFAOYSA-N
MW328.34 g/mol
LogP3.19
Rot. Bonds6

About [1-(benzimidazol-1-yl)-3-(4-fluorophenoxy)propan-2-yl] acetate

[1-(benzimidazol-1-yl)-3-(4-fluorophenoxy)propan-2-yl] acetate (PubChem CID 2945622) has the molecular formula C18H17FN2O3 and a molecular weight of 328.34 g/mol. Its IUPAC name is [1-(benzimidazol-1-yl)-3-(4-fluorophenoxy)propan-2-yl] acetate.

Molecular Properties

Compound Name[1-(benzimidazol-1-yl)-3-(4-fluorophenoxy)propan-2-yl] acetate
PubChem CID2945622
Molecular FormulaC18H17FN2O3
Molecular Weight328.34 g/mol
Exact Mass328.12
IUPAC Name[1-(benzimidazol-1-yl)-3-(4-fluorophenoxy)propan-2-yl] acetate
SMILESCC(=O)OC(COc1ccc(F)cc1)Cn1cnc2ccccc21
InChIInChI=1S/C18H17FN2O3/c1-13(22)24-16(11-23-15-8-6-14(19)7-9-15)10-21-12-20-17-4-2-3-5-18(17)21/h2-9,12,16H,10-11H2,1H3
InChIKeyYJUZOIAQBAWXMT-UHFFFAOYSA-N
XLogP3.19
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.34
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [1-(benzimidazol-1-yl)-3-(4-fluorophenoxy)propan-2-yl] acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [1-(benzimidazol-1-yl)-3-(4-fluorophenoxy)propan-2-yl] acetate?
The IUPAC name of [1-(benzimidazol-1-yl)-3-(4-fluorophenoxy)propan-2-yl] acetate (CID 2945622) is [1-(benzimidazol-1-yl)-3-(4-fluorophenoxy)propan-2-yl] acetate.
What is the SMILES notation for [1-(benzimidazol-1-yl)-3-(4-fluorophenoxy)propan-2-yl] acetate?
The canonical SMILES for [1-(benzimidazol-1-yl)-3-(4-fluorophenoxy)propan-2-yl] acetate is CC(=O)OC(COc1ccc(F)cc1)Cn1cnc2ccccc21.
What is the InChIKey of [1-(benzimidazol-1-yl)-3-(4-fluorophenoxy)propan-2-yl] acetate?
The InChIKey is YJUZOIAQBAWXMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN2O3/c1-13(22)24-16(11-23-15-8-6-14(19)7-9-15)10-21-12-20-17-4-2-3-5-18(17)21/h2-9,12,16H,10-11H2,1H3.
What are the key properties of [1-(benzimidazol-1-yl)-3-(4-fluorophenoxy)propan-2-yl] acetate?
[1-(benzimidazol-1-yl)-3-(4-fluorophenoxy)propan-2-yl] acetate has a molecular weight of 328.34 g/mol, XLogP of 3.19, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(benzimidazol-1-yl)-3-(4-fluorophenoxy)propan-2-yl] acetate is sourced from PubChem (CID 2945622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).