[2-(4-methoxyanilino)-2-oxoethyl] 2-(benzimidazol-1-yl)acetate

C18H17N3O4 — CID 2395493

IUPAC[2-(4-methoxyanilino)-2-oxoethyl] 2-(benzimidazol-1-yl)acetate
SMILESCOc1ccc(NC(=O)COC(=O)Cn2cnc3ccccc32)cc1
InChIInChI=1S/C18H17N3O4/c1-24-14-8-6-13(7-9-14)20-17(22)11-25-18(23)10-21-12-19-15-4-2-3-5-16(15)21/h2-9,12H,10-11H2,1H3,(H,20,22)
InChIKeyNWOFRKCKHTVDPH-UHFFFAOYSA-N
MW339.35 g/mol
LogP2.23
Rot. Bonds6

About [2-(4-methoxyanilino)-2-oxoethyl] 2-(benzimidazol-1-yl)acetate

[2-(4-methoxyanilino)-2-oxoethyl] 2-(benzimidazol-1-yl)acetate (PubChem CID 2395493) has the molecular formula C18H17N3O4 and a molecular weight of 339.35 g/mol. Its IUPAC name is [2-(4-methoxyanilino)-2-oxoethyl] 2-(benzimidazol-1-yl)acetate.

Molecular Properties

Compound Name[2-(4-methoxyanilino)-2-oxoethyl] 2-(benzimidazol-1-yl)acetate
PubChem CID2395493
Molecular FormulaC18H17N3O4
Molecular Weight339.35 g/mol
Exact Mass339.12
IUPAC Name[2-(4-methoxyanilino)-2-oxoethyl] 2-(benzimidazol-1-yl)acetate
SMILESCOc1ccc(NC(=O)COC(=O)Cn2cnc3ccccc32)cc1
InChIInChI=1S/C18H17N3O4/c1-24-14-8-6-13(7-9-14)20-17(22)11-25-18(23)10-21-12-19-15-4-2-3-5-16(15)21/h2-9,12H,10-11H2,1H3,(H,20,22)
InChIKeyNWOFRKCKHTVDPH-UHFFFAOYSA-N
XLogP2.23
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.35
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-(4-methoxyanilino)-2-oxoethyl] 2-(benzimidazol-1-yl)acetate?
The IUPAC name of [2-(4-methoxyanilino)-2-oxoethyl] 2-(benzimidazol-1-yl)acetate (CID 2395493) is [2-(4-methoxyanilino)-2-oxoethyl] 2-(benzimidazol-1-yl)acetate.
What is the SMILES notation for [2-(4-methoxyanilino)-2-oxoethyl] 2-(benzimidazol-1-yl)acetate?
The canonical SMILES for [2-(4-methoxyanilino)-2-oxoethyl] 2-(benzimidazol-1-yl)acetate is COc1ccc(NC(=O)COC(=O)Cn2cnc3ccccc32)cc1.
What is the InChIKey of [2-(4-methoxyanilino)-2-oxoethyl] 2-(benzimidazol-1-yl)acetate?
The InChIKey is NWOFRKCKHTVDPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O4/c1-24-14-8-6-13(7-9-14)20-17(22)11-25-18(23)10-21-12-19-15-4-2-3-5-16(15)21/h2-9,12H,10-11H2,1H3,(H,20,22).
What are the key properties of [2-(4-methoxyanilino)-2-oxoethyl] 2-(benzimidazol-1-yl)acetate?
[2-(4-methoxyanilino)-2-oxoethyl] 2-(benzimidazol-1-yl)acetate has a molecular weight of 339.35 g/mol, XLogP of 2.23, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-methoxyanilino)-2-oxoethyl] 2-(benzimidazol-1-yl)acetate is sourced from PubChem (CID 2395493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).