[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 2-(benzimidazol-1-yl)acetate

C19H19N3O4 — CID 2476031

IUPAC[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 2-(benzimidazol-1-yl)acetate
SMILESCOc1ccccc1CNC(=O)COC(=O)Cn1cnc2ccccc21
InChIInChI=1S/C19H19N3O4/c1-25-17-9-5-2-6-14(17)10-20-18(23)12-26-19(24)11-22-13-21-15-7-3-4-8-16(15)22/h2-9,13H,10-12H2,1H3,(H,20,23)
InChIKeyIQHWJVOPKDOHFB-UHFFFAOYSA-N
MW353.38 g/mol
LogP1.90
Rot. Bonds7

About [2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 2-(benzimidazol-1-yl)acetate

[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 2-(benzimidazol-1-yl)acetate (PubChem CID 2476031) has the molecular formula C19H19N3O4 and a molecular weight of 353.38 g/mol. Its IUPAC name is [2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 2-(benzimidazol-1-yl)acetate.

Molecular Properties

Compound Name[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 2-(benzimidazol-1-yl)acetate
PubChem CID2476031
Molecular FormulaC19H19N3O4
Molecular Weight353.38 g/mol
Exact Mass353.14
IUPAC Name[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 2-(benzimidazol-1-yl)acetate
SMILESCOc1ccccc1CNC(=O)COC(=O)Cn1cnc2ccccc21
InChIInChI=1S/C19H19N3O4/c1-25-17-9-5-2-6-14(17)10-20-18(23)12-26-19(24)11-22-13-21-15-7-3-4-8-16(15)22/h2-9,13H,10-12H2,1H3,(H,20,23)
InChIKeyIQHWJVOPKDOHFB-UHFFFAOYSA-N
XLogP1.90
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.38
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(2-methylphenoxy)acetamide
CID 724128
N-[2-[1-[2-(4-methylphenoxy)ethyl]benzimidazol-2-yl]ethyl]cyclohexanecarboxamide
CID 3159995
N-(2-(isopropylamino)-1-methyl-1H-benzo[d]imidazol-6-yl)-2-(4-(trifluoromethyl)phenoxy)acetamide
CID 11188955
N-(2-((2-(dimethylamino)ethyl)(methyl)amino)-1-methyl-1H-benzo[d]imidazol-6-yl)-2-(4-(trifluoromethyl)phenoxy)acetamide
CID 16665072
N-(2-methoxybenzyl)-1-[2-(piperidin-1-yl)ethyl]-1H-benzimidazol-2-amine
CID 662454
[1-[(2-Methoxyphenyl)methyl]benzimidazol-2-yl]methanol
CID 755585
2-Propanol, 1-(6-(1-(1H-benzimidazol-1-yl)vinyl)phenoxy)-3-(tert-butylamino)-
CID 3069764
N-{2-[1-(2-phenoxyethyl)benzimidazol-2-yl]ethyl}acetamide
CID 2989208
(2,5-Dimethoxy-benzyl)-(1-ethyl-1H-benzoimidazol-2-yl)-amine
CID 645176
(4-Methoxy-benzyl)-[1-(2-morpholin-4-yl-ethyl)-1H-benzoimidazol-2-yl]-amine
CID 1090114
1-[4-(2-Methylphenoxy)butyl]benzimidazole
CID 2129703
N-(2-{1-[2-(2,5-dimethylphenoxy)ethyl]-1H-benzimidazol-2-yl}ethyl)cyclohexanecarboxamide
CID 16012645

Frequently Asked Questions

What is the IUPAC name of [2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 2-(benzimidazol-1-yl)acetate?
The IUPAC name of [2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 2-(benzimidazol-1-yl)acetate (CID 2476031) is [2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 2-(benzimidazol-1-yl)acetate.
What is the SMILES notation for [2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 2-(benzimidazol-1-yl)acetate?
The canonical SMILES for [2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 2-(benzimidazol-1-yl)acetate is COc1ccccc1CNC(=O)COC(=O)Cn1cnc2ccccc21.
What is the InChIKey of [2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 2-(benzimidazol-1-yl)acetate?
The InChIKey is IQHWJVOPKDOHFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O4/c1-25-17-9-5-2-6-14(17)10-20-18(23)12-26-19(24)11-22-13-21-15-7-3-4-8-16(15)22/h2-9,13H,10-12H2,1H3,(H,20,23).
What are the key properties of [2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 2-(benzimidazol-1-yl)acetate?
[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 2-(benzimidazol-1-yl)acetate has a molecular weight of 353.38 g/mol, XLogP of 1.90, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 2-(benzimidazol-1-yl)acetate is sourced from PubChem (CID 2476031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).