[3-[2-oxo-3-(4-pyrrol-1-ylphenyl)imidazolidin-1-yl]phenyl] formate

C20H17N3O3 — CID 58156574

IUPAC[3-[2-oxo-3-(4-pyrrol-1-ylphenyl)imidazolidin-1-yl]phenyl] formate
SMILESO=COc1cccc(N2CCN(c3ccc(-n4cccc4)cc3)C2=O)c1
InChIInChI=1S/C20H17N3O3/c24-15-26-19-5-3-4-18(14-19)23-13-12-22(20(23)25)17-8-6-16(7-9-17)21-10-1-2-11-21/h1-11,14-15H,12-13H2
InChIKeyNLLSMFDLVQUVHA-UHFFFAOYSA-N
MW347.37 g/mol
LogP3.46
Rot. Bonds5

About [3-[2-oxo-3-(4-pyrrol-1-ylphenyl)imidazolidin-1-yl]phenyl] formate

[3-[2-oxo-3-(4-pyrrol-1-ylphenyl)imidazolidin-1-yl]phenyl] formate (PubChem CID 58156574) has the molecular formula C20H17N3O3 and a molecular weight of 347.37 g/mol. Its IUPAC name is [3-[2-oxo-3-(4-pyrrol-1-ylphenyl)imidazolidin-1-yl]phenyl] formate.

Molecular Properties

Compound Name[3-[2-oxo-3-(4-pyrrol-1-ylphenyl)imidazolidin-1-yl]phenyl] formate
PubChem CID58156574
Molecular FormulaC20H17N3O3
Molecular Weight347.37 g/mol
Exact Mass347.13
IUPAC Name[3-[2-oxo-3-(4-pyrrol-1-ylphenyl)imidazolidin-1-yl]phenyl] formate
SMILESO=COc1cccc(N2CCN(c3ccc(-n4cccc4)cc3)C2=O)c1
InChIInChI=1S/C20H17N3O3/c24-15-26-19-5-3-4-18(14-19)23-13-12-22(20(23)25)17-8-6-16(7-9-17)21-10-1-2-11-21/h1-11,14-15H,12-13H2
InChIKeyNLLSMFDLVQUVHA-UHFFFAOYSA-N
XLogP3.46
TPSA54.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.37
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [3-[2-oxo-3-(4-pyrrol-1-ylphenyl)imidazolidin-1-yl]phenyl] formate?
The IUPAC name of [3-[2-oxo-3-(4-pyrrol-1-ylphenyl)imidazolidin-1-yl]phenyl] formate (CID 58156574) is [3-[2-oxo-3-(4-pyrrol-1-ylphenyl)imidazolidin-1-yl]phenyl] formate.
What is the SMILES notation for [3-[2-oxo-3-(4-pyrrol-1-ylphenyl)imidazolidin-1-yl]phenyl] formate?
The canonical SMILES for [3-[2-oxo-3-(4-pyrrol-1-ylphenyl)imidazolidin-1-yl]phenyl] formate is O=COc1cccc(N2CCN(c3ccc(-n4cccc4)cc3)C2=O)c1.
What is the InChIKey of [3-[2-oxo-3-(4-pyrrol-1-ylphenyl)imidazolidin-1-yl]phenyl] formate?
The InChIKey is NLLSMFDLVQUVHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O3/c24-15-26-19-5-3-4-18(14-19)23-13-12-22(20(23)25)17-8-6-16(7-9-17)21-10-1-2-11-21/h1-11,14-15H,12-13H2.
What are the key properties of [3-[2-oxo-3-(4-pyrrol-1-ylphenyl)imidazolidin-1-yl]phenyl] formate?
[3-[2-oxo-3-(4-pyrrol-1-ylphenyl)imidazolidin-1-yl]phenyl] formate has a molecular weight of 347.37 g/mol, XLogP of 3.46, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[2-oxo-3-(4-pyrrol-1-ylphenyl)imidazolidin-1-yl]phenyl] formate is sourced from PubChem (CID 58156574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).