[2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 2-[(2-methoxybenzoyl)amino]acetate

C19H18N4O6 — CID 24671337

IUPAC[2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 2-[(2-methoxybenzoyl)amino]acetate
SMILESCOc1ccccc1C(=O)NCC(=O)OCC(=O)Nc1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C19H18N4O6/c1-28-15-5-3-2-4-12(15)18(26)20-9-17(25)29-10-16(24)21-11-6-7-13-14(8-11)23-19(27)22-13/h2-8H,9-10H2,1H3,(H,20,26)(H,21,24)(H2,22,23,27)
InChIKeyGFCVAOLVOSXLIU-UHFFFAOYSA-N
MW398.38 g/mol
LogP0.78
Rot. Bonds7

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

[2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 2-[(2-methoxybenzoyl)amino]acetate (PubChem CID 24671337) has the molecular formula C19H18N4O6 and a molecular weight of 398.38 g/mol. Its IUPAC name is [2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 2-[(2-methoxybenzoyl)amino]acetate.

Molecular Properties

Compound Name[2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 2-[(2-methoxybenzoyl)amino]acetate
PubChem CID24671337
Molecular FormulaC19H18N4O6
Molecular Weight398.38 g/mol
Exact Mass398.12
IUPAC Name[2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 2-[(2-methoxybenzoyl)amino]acetate
SMILESCOc1ccccc1C(=O)NCC(=O)OCC(=O)Nc1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C19H18N4O6/c1-28-15-5-3-2-4-12(15)18(26)20-9-17(25)29-10-16(24)21-11-6-7-13-14(8-11)23-19(27)22-13/h2-8H,9-10H2,1H3,(H,20,26)(H,21,24)(H2,22,23,27)
InChIKeyGFCVAOLVOSXLIU-UHFFFAOYSA-N
XLogP0.78
TPSA142.38 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.38
LogP ≤ 50.78
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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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-[(2-methoxybenzoyl)amino]acetate?
The IUPAC name of [2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 2-[(2-methoxybenzoyl)amino]acetate (CID 24671337) is [2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 2-[(2-methoxybenzoyl)amino]acetate.
What is the SMILES notation for [2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 2-[(2-methoxybenzoyl)amino]acetate?
The canonical SMILES for [2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 2-[(2-methoxybenzoyl)amino]acetate is COc1ccccc1C(=O)NCC(=O)OCC(=O)Nc1ccc2[nH]c(=O)[nH]c2c1.
What is the InChIKey of [2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 2-[(2-methoxybenzoyl)amino]acetate?
The InChIKey is GFCVAOLVOSXLIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O6/c1-28-15-5-3-2-4-12(15)18(26)20-9-17(25)29-10-16(24)21-11-6-7-13-14(8-11)23-19(27)22-13/h2-8H,9-10H2,1H3,(H,20,26)(H,21,24)(H2,22,23,27).
What are the key properties of [2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 2-[(2-methoxybenzoyl)amino]acetate?
[2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 2-[(2-methoxybenzoyl)amino]acetate has a molecular weight of 398.38 g/mol, XLogP of 0.78, 7 rotatable bonds, 4 hydrogen bond donors, and 6 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-[(2-methoxybenzoyl)amino]acetate is sourced from PubChem (CID 24671337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).