[2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 2,3,4-trimethoxybenzoate

C19H19N3O7 — CID 24662010

IUPAC[2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 2,3,4-trimethoxybenzoate
SMILESCOc1ccc(C(=O)OCC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)c(OC)c1OC
InChIInChI=1S/C19H19N3O7/c1-26-14-7-5-11(16(27-2)17(14)28-3)18(24)29-9-15(23)20-10-4-6-12-13(8-10)22-19(25)21-12/h4-8H,9H2,1-3H3,(H,20,23)(H2,21,22,25)
InChIKeyWSYPFOOQWWDHQW-UHFFFAOYSA-N
MW401.38 g/mol
LogP1.68
Rot. Bonds7

About [2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 2,3,4-trimethoxybenzoate

[2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 2,3,4-trimethoxybenzoate (PubChem CID 24662010) has the molecular formula C19H19N3O7 and a molecular weight of 401.38 g/mol. Its IUPAC name is [2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 2,3,4-trimethoxybenzoate.

Molecular Properties

Compound Name[2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 2,3,4-trimethoxybenzoate
PubChem CID24662010
Molecular FormulaC19H19N3O7
Molecular Weight401.38 g/mol
Exact Mass401.12
IUPAC Name[2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 2,3,4-trimethoxybenzoate
SMILESCOc1ccc(C(=O)OCC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)c(OC)c1OC
InChIInChI=1S/C19H19N3O7/c1-26-14-7-5-11(16(27-2)17(14)28-3)18(24)29-9-15(23)20-10-4-6-12-13(8-10)22-19(25)21-12/h4-8H,9H2,1-3H3,(H,20,23)(H2,21,22,25)
InChIKeyWSYPFOOQWWDHQW-UHFFFAOYSA-N
XLogP1.68
TPSA131.74 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.38
LogP ≤ 51.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 2,3,4-trimethoxybenzoate?
The IUPAC name of [2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 2,3,4-trimethoxybenzoate (CID 24662010) is [2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 2,3,4-trimethoxybenzoate.
What is the SMILES notation for [2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 2,3,4-trimethoxybenzoate?
The canonical SMILES for [2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 2,3,4-trimethoxybenzoate is COc1ccc(C(=O)OCC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)c(OC)c1OC.
What is the InChIKey of [2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 2,3,4-trimethoxybenzoate?
The InChIKey is WSYPFOOQWWDHQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O7/c1-26-14-7-5-11(16(27-2)17(14)28-3)18(24)29-9-15(23)20-10-4-6-12-13(8-10)22-19(25)21-12/h4-8H,9H2,1-3H3,(H,20,23)(H2,21,22,25).
What are the key properties of [2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 2,3,4-trimethoxybenzoate?
[2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 2,3,4-trimethoxybenzoate has a molecular weight of 401.38 g/mol, XLogP of 1.68, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 2,3,4-trimethoxybenzoate is sourced from PubChem (CID 24662010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).