[3-[3-(4-methoxyphenyl)-2-oxoimidazolidin-1-yl]phenyl] formate

C17H16N2O4 — CID 58156920

IUPAC[3-[3-(4-methoxyphenyl)-2-oxoimidazolidin-1-yl]phenyl] formate
SMILESCOc1ccc(N2CCN(c3cccc(OC=O)c3)C2=O)cc1
InChIInChI=1S/C17H16N2O4/c1-22-15-7-5-13(6-8-15)18-9-10-19(17(18)21)14-3-2-4-16(11-14)23-12-20/h2-8,11-12H,9-10H2,1H3
InChIKeyUKYJDPGSWGUPHH-UHFFFAOYSA-N
MW312.33 g/mol
LogP2.68
Rot. Bonds5

About [3-[3-(4-methoxyphenyl)-2-oxoimidazolidin-1-yl]phenyl] formate

[3-[3-(4-methoxyphenyl)-2-oxoimidazolidin-1-yl]phenyl] formate (PubChem CID 58156920) has the molecular formula C17H16N2O4 and a molecular weight of 312.33 g/mol. Its IUPAC name is [3-[3-(4-methoxyphenyl)-2-oxoimidazolidin-1-yl]phenyl] formate.

Molecular Properties

Compound Name[3-[3-(4-methoxyphenyl)-2-oxoimidazolidin-1-yl]phenyl] formate
PubChem CID58156920
Molecular FormulaC17H16N2O4
Molecular Weight312.33 g/mol
Exact Mass312.11
IUPAC Name[3-[3-(4-methoxyphenyl)-2-oxoimidazolidin-1-yl]phenyl] formate
SMILESCOc1ccc(N2CCN(c3cccc(OC=O)c3)C2=O)cc1
InChIInChI=1S/C17H16N2O4/c1-22-15-7-5-13(6-8-15)18-9-10-19(17(18)21)14-3-2-4-16(11-14)23-12-20/h2-8,11-12H,9-10H2,1H3
InChIKeyUKYJDPGSWGUPHH-UHFFFAOYSA-N
XLogP2.68
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.33
LogP ≤ 52.68
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-[3-(4-methoxyphenyl)-2-oxoimidazolidin-1-yl]phenyl] formate?
The IUPAC name of [3-[3-(4-methoxyphenyl)-2-oxoimidazolidin-1-yl]phenyl] formate (CID 58156920) is [3-[3-(4-methoxyphenyl)-2-oxoimidazolidin-1-yl]phenyl] formate.
What is the SMILES notation for [3-[3-(4-methoxyphenyl)-2-oxoimidazolidin-1-yl]phenyl] formate?
The canonical SMILES for [3-[3-(4-methoxyphenyl)-2-oxoimidazolidin-1-yl]phenyl] formate is COc1ccc(N2CCN(c3cccc(OC=O)c3)C2=O)cc1.
What is the InChIKey of [3-[3-(4-methoxyphenyl)-2-oxoimidazolidin-1-yl]phenyl] formate?
The InChIKey is UKYJDPGSWGUPHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O4/c1-22-15-7-5-13(6-8-15)18-9-10-19(17(18)21)14-3-2-4-16(11-14)23-12-20/h2-8,11-12H,9-10H2,1H3.
What are the key properties of [3-[3-(4-methoxyphenyl)-2-oxoimidazolidin-1-yl]phenyl] formate?
[3-[3-(4-methoxyphenyl)-2-oxoimidazolidin-1-yl]phenyl] formate has a molecular weight of 312.33 g/mol, XLogP of 2.68, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[3-(4-methoxyphenyl)-2-oxoimidazolidin-1-yl]phenyl] formate is sourced from PubChem (CID 58156920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).