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

C19H20N2O4 — CID 3155816

IUPAC[1-(benzimidazol-1-yl)-3-(4-methoxyphenoxy)propan-2-yl] acetate
SMILESCOc1ccc(OCC(Cn2cnc3ccccc32)OC(C)=O)cc1
InChIInChI=1S/C19H20N2O4/c1-14(22)25-17(12-24-16-9-7-15(23-2)8-10-16)11-21-13-20-18-5-3-4-6-19(18)21/h3-10,13,17H,11-12H2,1-2H3
InChIKeyAJIRYEOJBDMZJD-UHFFFAOYSA-N
MW340.38 g/mol
LogP3.06
Rot. Bonds7

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

[1-(benzimidazol-1-yl)-3-(4-methoxyphenoxy)propan-2-yl] acetate (PubChem CID 3155816) has the molecular formula C19H20N2O4 and a molecular weight of 340.38 g/mol. Its IUPAC name is [1-(benzimidazol-1-yl)-3-(4-methoxyphenoxy)propan-2-yl] acetate.

Molecular Properties

Compound Name[1-(benzimidazol-1-yl)-3-(4-methoxyphenoxy)propan-2-yl] acetate
PubChem CID3155816
Molecular FormulaC19H20N2O4
Molecular Weight340.38 g/mol
Exact Mass340.14
IUPAC Name[1-(benzimidazol-1-yl)-3-(4-methoxyphenoxy)propan-2-yl] acetate
SMILESCOc1ccc(OCC(Cn2cnc3ccccc32)OC(C)=O)cc1
InChIInChI=1S/C19H20N2O4/c1-14(22)25-17(12-24-16-9-7-15(23-2)8-10-16)11-21-13-20-18-5-3-4-6-19(18)21/h3-10,13,17H,11-12H2,1-2H3
InChIKeyAJIRYEOJBDMZJD-UHFFFAOYSA-N
XLogP3.06
TPSA62.58 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [1-(benzimidazol-1-yl)-3-(4-methoxyphenoxy)propan-2-yl] acetate?
The IUPAC name of [1-(benzimidazol-1-yl)-3-(4-methoxyphenoxy)propan-2-yl] acetate (CID 3155816) is [1-(benzimidazol-1-yl)-3-(4-methoxyphenoxy)propan-2-yl] acetate.
What is the SMILES notation for [1-(benzimidazol-1-yl)-3-(4-methoxyphenoxy)propan-2-yl] acetate?
The canonical SMILES for [1-(benzimidazol-1-yl)-3-(4-methoxyphenoxy)propan-2-yl] acetate is COc1ccc(OCC(Cn2cnc3ccccc32)OC(C)=O)cc1.
What is the InChIKey of [1-(benzimidazol-1-yl)-3-(4-methoxyphenoxy)propan-2-yl] acetate?
The InChIKey is AJIRYEOJBDMZJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O4/c1-14(22)25-17(12-24-16-9-7-15(23-2)8-10-16)11-21-13-20-18-5-3-4-6-19(18)21/h3-10,13,17H,11-12H2,1-2H3.
What are the key properties of [1-(benzimidazol-1-yl)-3-(4-methoxyphenoxy)propan-2-yl] acetate?
[1-(benzimidazol-1-yl)-3-(4-methoxyphenoxy)propan-2-yl] acetate has a molecular weight of 340.38 g/mol, XLogP of 3.06, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(benzimidazol-1-yl)-3-(4-methoxyphenoxy)propan-2-yl] acetate is sourced from PubChem (CID 3155816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).