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

C19H19N3O4 — CID 24687491

IUPAC[2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 2-phenylbutanoate
SMILESCCC(C(=O)OCC(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)c1ccccc1
InChIInChI=1S/C19H19N3O4/c1-2-14(12-6-4-3-5-7-12)18(24)26-11-17(23)20-13-8-9-15-16(10-13)22-19(25)21-15/h3-10,14H,2,11H2,1H3,(H,20,23)(H2,21,22,25)
InChIKeyJOQBHYREVOOJGO-UHFFFAOYSA-N
MW353.38 g/mol
LogP2.53
Rot. Bonds6

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

[2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 2-phenylbutanoate (PubChem CID 24687491) has the molecular formula C19H19N3O4 and a molecular weight of 353.38 g/mol. Its IUPAC name is [2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 2-phenylbutanoate.

Molecular Properties

Compound Name[2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 2-phenylbutanoate
PubChem CID24687491
Molecular FormulaC19H19N3O4
Molecular Weight353.38 g/mol
Exact Mass353.14
IUPAC Name[2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 2-phenylbutanoate
SMILESCCC(C(=O)OCC(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)c1ccccc1
InChIInChI=1S/C19H19N3O4/c1-2-14(12-6-4-3-5-7-12)18(24)26-11-17(23)20-13-8-9-15-16(10-13)22-19(25)21-15/h3-10,14H,2,11H2,1H3,(H,20,23)(H2,21,22,25)
InChIKeyJOQBHYREVOOJGO-UHFFFAOYSA-N
XLogP2.53
TPSA104.05 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.38
LogP ≤ 52.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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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-phenylbutanoate?
The IUPAC name of [2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 2-phenylbutanoate (CID 24687491) is [2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 2-phenylbutanoate.
What is the SMILES notation for [2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 2-phenylbutanoate?
The canonical SMILES for [2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 2-phenylbutanoate is CCC(C(=O)OCC(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)c1ccccc1.
What is the InChIKey of [2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 2-phenylbutanoate?
The InChIKey is JOQBHYREVOOJGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O4/c1-2-14(12-6-4-3-5-7-12)18(24)26-11-17(23)20-13-8-9-15-16(10-13)22-19(25)21-15/h3-10,14H,2,11H2,1H3,(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] 2-phenylbutanoate?
[2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 2-phenylbutanoate has a molecular weight of 353.38 g/mol, XLogP of 2.53, 6 rotatable bonds, 3 hydrogen bond donors, and 4 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-phenylbutanoate is sourced from PubChem (CID 24687491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).