[2-(2,5-dimethoxyphenyl)-2-oxoethyl] 2-(benzimidazol-1-yl)acetate

C19H18N2O5 — CID 23967505

IUPAC[2-(2,5-dimethoxyphenyl)-2-oxoethyl] 2-(benzimidazol-1-yl)acetate
SMILESCOc1ccc(OC)c(C(=O)COC(=O)Cn2cnc3ccccc32)c1
InChIInChI=1S/C19H18N2O5/c1-24-13-7-8-18(25-2)14(9-13)17(22)11-26-19(23)10-21-12-20-15-5-3-4-6-16(15)21/h3-9,12H,10-11H2,1-2H3
InChIKeyJUNMIOFVXWZHBF-UHFFFAOYSA-N
MW354.36 g/mol
LogP2.48
Rot. Bonds7

About [2-(2,5-dimethoxyphenyl)-2-oxoethyl] 2-(benzimidazol-1-yl)acetate

[2-(2,5-dimethoxyphenyl)-2-oxoethyl] 2-(benzimidazol-1-yl)acetate (PubChem CID 23967505) has the molecular formula C19H18N2O5 and a molecular weight of 354.36 g/mol. Its IUPAC name is [2-(2,5-dimethoxyphenyl)-2-oxoethyl] 2-(benzimidazol-1-yl)acetate.

Molecular Properties

Compound Name[2-(2,5-dimethoxyphenyl)-2-oxoethyl] 2-(benzimidazol-1-yl)acetate
PubChem CID23967505
Molecular FormulaC19H18N2O5
Molecular Weight354.36 g/mol
Exact Mass354.12
IUPAC Name[2-(2,5-dimethoxyphenyl)-2-oxoethyl] 2-(benzimidazol-1-yl)acetate
SMILESCOc1ccc(OC)c(C(=O)COC(=O)Cn2cnc3ccccc32)c1
InChIInChI=1S/C19H18N2O5/c1-24-13-7-8-18(25-2)14(9-13)17(22)11-26-19(23)10-21-12-20-15-5-3-4-6-16(15)21/h3-9,12H,10-11H2,1-2H3
InChIKeyJUNMIOFVXWZHBF-UHFFFAOYSA-N
XLogP2.48
TPSA79.65 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.36
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-(benzimidazol-1-yl)-1-(2-fluoro-4-methoxyphenyl)ethanone
CID 103397259
[2-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-2-oxoethyl] 2-(benzimidazol-1-yl)acetate
CID 23911692
[2-(2,5-dimethoxyphenyl)-2-oxoethyl] 2-(2-methylphenoxy)acetate
CID 7628495
[2-(2,5-dimethoxyphenyl)-2-oxoethyl] 2-(2-ethoxyphenoxy)acetate
CID 23988457
1-[(2,5-dimethoxyphenyl)methyl]benzimidazole
CID 139217669
2-(benzimidazol-1-yl)-1-(3-bromo-4-methoxyphenyl)ethanone
CID 43612589
[2-(2,5-dimethoxyphenyl)-2-oxoethyl] carbamate
CID 119090108
[2-(2,5-dimethoxyphenyl)-2-oxoethyl] 2-(4-methylquinolin-2-yl)sulfanylacetate
CID 7487625
[2-(2,5-dimethoxyphenyl)-2-oxoethyl] 2-(2-fluorophenyl)acetate
CID 23964948
[2-(2,5-dimethoxyphenyl)-2-oxoethyl] 2-(2-tert-butylphenoxy)acetate
CID 8701600
N-[2-(benzimidazol-1-yl)ethyl]-2,4-dimethoxybenzamide
CID 47069219
[2-(2,5-dimethoxyphenyl)-2-oxoethyl] 2-(2-cyanophenoxy)acetate
CID 9318517

Frequently Asked Questions

What is the IUPAC name of [2-(2,5-dimethoxyphenyl)-2-oxoethyl] 2-(benzimidazol-1-yl)acetate?
The IUPAC name of [2-(2,5-dimethoxyphenyl)-2-oxoethyl] 2-(benzimidazol-1-yl)acetate (CID 23967505) is [2-(2,5-dimethoxyphenyl)-2-oxoethyl] 2-(benzimidazol-1-yl)acetate.
What is the SMILES notation for [2-(2,5-dimethoxyphenyl)-2-oxoethyl] 2-(benzimidazol-1-yl)acetate?
The canonical SMILES for [2-(2,5-dimethoxyphenyl)-2-oxoethyl] 2-(benzimidazol-1-yl)acetate is COc1ccc(OC)c(C(=O)COC(=O)Cn2cnc3ccccc32)c1.
What is the InChIKey of [2-(2,5-dimethoxyphenyl)-2-oxoethyl] 2-(benzimidazol-1-yl)acetate?
The InChIKey is JUNMIOFVXWZHBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O5/c1-24-13-7-8-18(25-2)14(9-13)17(22)11-26-19(23)10-21-12-20-15-5-3-4-6-16(15)21/h3-9,12H,10-11H2,1-2H3.
What are the key properties of [2-(2,5-dimethoxyphenyl)-2-oxoethyl] 2-(benzimidazol-1-yl)acetate?
[2-(2,5-dimethoxyphenyl)-2-oxoethyl] 2-(benzimidazol-1-yl)acetate has a molecular weight of 354.36 g/mol, XLogP of 2.48, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,5-dimethoxyphenyl)-2-oxoethyl] 2-(benzimidazol-1-yl)acetate is sourced from PubChem (CID 23967505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).