[2-(2-methoxyanilino)-2-oxoethyl] 2-(2-ethylbenzimidazol-1-yl)acetate

C20H21N3O4 — CID 30252486

IUPAC[2-(2-methoxyanilino)-2-oxoethyl] 2-(2-ethylbenzimidazol-1-yl)acetate
SMILESCCc1nc2ccccc2n1CC(=O)OCC(=O)Nc1ccccc1OC
InChIInChI=1S/C20H21N3O4/c1-3-18-21-14-8-4-6-10-16(14)23(18)12-20(25)27-13-19(24)22-15-9-5-7-11-17(15)26-2/h4-11H,3,12-13H2,1-2H3,(H,22,24)
InChIKeyPPADSDWXDUMYNR-UHFFFAOYSA-N
MW367.41 g/mol
LogP2.79
Rot. Bonds7

About [2-(2-methoxyanilino)-2-oxoethyl] 2-(2-ethylbenzimidazol-1-yl)acetate

[2-(2-methoxyanilino)-2-oxoethyl] 2-(2-ethylbenzimidazol-1-yl)acetate (PubChem CID 30252486) has the molecular formula C20H21N3O4 and a molecular weight of 367.41 g/mol. Its IUPAC name is [2-(2-methoxyanilino)-2-oxoethyl] 2-(2-ethylbenzimidazol-1-yl)acetate.

Molecular Properties

Compound Name[2-(2-methoxyanilino)-2-oxoethyl] 2-(2-ethylbenzimidazol-1-yl)acetate
PubChem CID30252486
Molecular FormulaC20H21N3O4
Molecular Weight367.41 g/mol
Exact Mass367.15
IUPAC Name[2-(2-methoxyanilino)-2-oxoethyl] 2-(2-ethylbenzimidazol-1-yl)acetate
SMILESCCc1nc2ccccc2n1CC(=O)OCC(=O)Nc1ccccc1OC
InChIInChI=1S/C20H21N3O4/c1-3-18-21-14-8-4-6-10-16(14)23(18)12-20(25)27-13-19(24)22-15-9-5-7-11-17(15)26-2/h4-11H,3,12-13H2,1-2H3,(H,22,24)
InChIKeyPPADSDWXDUMYNR-UHFFFAOYSA-N
XLogP2.79
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [2-(2-methoxyanilino)-2-oxoethyl] 2-(2-ethylbenzimidazol-1-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

Related Compounds

2-(2-ethylbenzimidazol-1-yl)-N-(2-methoxyphenyl)acetamide
CID 5023490
[2-[2-(cyclopentylcarbamoyl)anilino]-2-oxoethyl] 2-(2-ethylbenzimidazol-1-yl)acetate
CID 30263426
N-(2-methoxyphenyl)-2-[2-(methylsulfonylmethyl)benzimidazol-1-yl]acetamide
CID 17426644
2-(2-ethylbenzimidazol-1-yl)-N-(2-ethylphenyl)acetamide
CID 4789521
N-(2-methoxyphenyl)-2-[2-(naphthalen-1-yloxymethyl)benzimidazol-1-yl]acetamide
CID 17032255
N-[2-[1-[2-(2-methoxyanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-methylpropanamide
CID 17030325
2-chloro-N-[2-[1-[2-(2-methoxyanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide
CID 17030763
[2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl] 2-(2-ethylbenzimidazol-1-yl)acetate
CID 55384666
[2-(2,5-difluoroanilino)-2-oxoethyl] 2-(2-methylbenzimidazol-1-yl)acetate
CID 23967917
[2-(2-nitroanilino)-2-oxoethyl] 2-(2-methylbenzimidazol-1-yl)acetate
CID 3929351
[2-[2-(3-methylphenoxy)ethylamino]-2-oxoethyl] 2-(2-ethylbenzimidazol-1-yl)acetate
CID 33333737
2-(2-ethylbenzimidazol-1-yl)-N-(4-fluoro-2-methylphenyl)acetamide
CID 26286960

Frequently Asked Questions

What is the IUPAC name of [2-(2-methoxyanilino)-2-oxoethyl] 2-(2-ethylbenzimidazol-1-yl)acetate?
The IUPAC name of [2-(2-methoxyanilino)-2-oxoethyl] 2-(2-ethylbenzimidazol-1-yl)acetate (CID 30252486) is [2-(2-methoxyanilino)-2-oxoethyl] 2-(2-ethylbenzimidazol-1-yl)acetate.
What is the SMILES notation for [2-(2-methoxyanilino)-2-oxoethyl] 2-(2-ethylbenzimidazol-1-yl)acetate?
The canonical SMILES for [2-(2-methoxyanilino)-2-oxoethyl] 2-(2-ethylbenzimidazol-1-yl)acetate is CCc1nc2ccccc2n1CC(=O)OCC(=O)Nc1ccccc1OC.
What is the InChIKey of [2-(2-methoxyanilino)-2-oxoethyl] 2-(2-ethylbenzimidazol-1-yl)acetate?
The InChIKey is PPADSDWXDUMYNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O4/c1-3-18-21-14-8-4-6-10-16(14)23(18)12-20(25)27-13-19(24)22-15-9-5-7-11-17(15)26-2/h4-11H,3,12-13H2,1-2H3,(H,22,24).
What are the key properties of [2-(2-methoxyanilino)-2-oxoethyl] 2-(2-ethylbenzimidazol-1-yl)acetate?
[2-(2-methoxyanilino)-2-oxoethyl] 2-(2-ethylbenzimidazol-1-yl)acetate has a molecular weight of 367.41 g/mol, XLogP of 2.79, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methoxyanilino)-2-oxoethyl] 2-(2-ethylbenzimidazol-1-yl)acetate is sourced from PubChem (CID 30252486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).