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

C19H19N3O5 — CID 9453313

IUPAC[2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 3-(2-methoxyphenyl)propanoate
SMILESCOc1ccccc1CCC(=O)OCC(=O)Nc1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C19H19N3O5/c1-26-16-5-3-2-4-12(16)6-9-18(24)27-11-17(23)20-13-7-8-14-15(10-13)22-19(25)21-14/h2-5,7-8,10H,6,9,11H2,1H3,(H,20,23)(H2,21,22,25)
InChIKeyCPRKCFSPMDCZET-UHFFFAOYSA-N
MW369.38 g/mol
LogP1.98
Rot. Bonds7

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

[2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 3-(2-methoxyphenyl)propanoate (PubChem CID 9453313) 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-methoxyphenyl)propanoate.

Molecular Properties

Compound Name[2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 3-(2-methoxyphenyl)propanoate
PubChem CID9453313
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-methoxyphenyl)propanoate
SMILESCOc1ccccc1CCC(=O)OCC(=O)Nc1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C19H19N3O5/c1-26-16-5-3-2-4-12(16)6-9-18(24)27-11-17(23)20-13-7-8-14-15(10-13)22-19(25)21-14/h2-5,7-8,10H,6,9,11H2,1H3,(H,20,23)(H2,21,22,25)
InChIKeyCPRKCFSPMDCZET-UHFFFAOYSA-N
XLogP1.98
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 ≤ 51.98
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-methoxyphenyl)propanoate?
The IUPAC name of [2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 3-(2-methoxyphenyl)propanoate (CID 9453313) is [2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 3-(2-methoxyphenyl)propanoate.
What is the SMILES notation for [2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 3-(2-methoxyphenyl)propanoate?
The canonical SMILES for [2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 3-(2-methoxyphenyl)propanoate is COc1ccccc1CCC(=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-methoxyphenyl)propanoate?
The InChIKey is CPRKCFSPMDCZET-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O5/c1-26-16-5-3-2-4-12(16)6-9-18(24)27-11-17(23)20-13-7-8-14-15(10-13)22-19(25)21-14/h2-5,7-8,10H,6,9,11H2,1H3,(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-methoxyphenyl)propanoate?
[2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 3-(2-methoxyphenyl)propanoate has a molecular weight of 369.38 g/mol, XLogP of 1.98, 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-methoxyphenyl)propanoate is sourced from PubChem (CID 9453313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).