[2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 3-(2-methylphenoxy)propanoate

C19H19N3O5 — CID 24982272

IUPAC[2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 3-(2-methylphenoxy)propanoate
SMILESCc1ccccc1OCCC(=O)OCC(=O)Nc1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C19H19N3O5/c1-12-4-2-3-5-16(12)26-9-8-18(24)27-11-17(23)20-13-6-7-14-15(10-13)22-19(25)21-14/h2-7,10H,8-9,11H2,1H3,(H,20,23)(H2,21,22,25)
InChIKeyZSYXBYNTRYAKIC-UHFFFAOYSA-N
MW369.38 g/mol
LogP2.12
Rot. Bonds7

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

[2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 3-(2-methylphenoxy)propanoate (PubChem CID 24982272) has the molecular formula C19H19N3O5 and a molecular weight of 369.38 g/mol. Its IUPAC name is [2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 3-(2-methylphenoxy)propanoate.

Molecular Properties

Compound Name[2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 3-(2-methylphenoxy)propanoate
PubChem CID24982272
Molecular FormulaC19H19N3O5
Molecular Weight369.38 g/mol
Exact Mass369.13
IUPAC Name[2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 3-(2-methylphenoxy)propanoate
SMILESCc1ccccc1OCCC(=O)OCC(=O)Nc1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C19H19N3O5/c1-12-4-2-3-5-16(12)26-9-8-18(24)27-11-17(23)20-13-6-7-14-15(10-13)22-19(25)21-14/h2-7,10H,8-9,11H2,1H3,(H,20,23)(H2,21,22,25)
InChIKeyZSYXBYNTRYAKIC-UHFFFAOYSA-N
XLogP2.12
TPSA113.28 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.38
LogP ≤ 52.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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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] 3-(2-methylphenoxy)propanoate?
The IUPAC name of [2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 3-(2-methylphenoxy)propanoate (CID 24982272) is [2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 3-(2-methylphenoxy)propanoate.
What is the SMILES notation for [2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 3-(2-methylphenoxy)propanoate?
The canonical SMILES for [2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 3-(2-methylphenoxy)propanoate is Cc1ccccc1OCCC(=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] 3-(2-methylphenoxy)propanoate?
The InChIKey is ZSYXBYNTRYAKIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O5/c1-12-4-2-3-5-16(12)26-9-8-18(24)27-11-17(23)20-13-6-7-14-15(10-13)22-19(25)21-14/h2-7,10H,8-9,11H2,1H3,(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] 3-(2-methylphenoxy)propanoate?
[2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 3-(2-methylphenoxy)propanoate has a molecular weight of 369.38 g/mol, XLogP of 2.12, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 3-(2-methylphenoxy)propanoate is sourced from PubChem (CID 24982272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).