methyl 2-[[4-(2-oxoimidazolidin-1-yl)phenyl]methyl]pentanoate

C16H22N2O3 — CID 70073360

IUPACmethyl 2-[[4-(2-oxoimidazolidin-1-yl)phenyl]methyl]pentanoate
SMILESCCCC(Cc1ccc(N2CCNC2=O)cc1)C(=O)OC
InChIInChI=1S/C16H22N2O3/c1-3-4-13(15(19)21-2)11-12-5-7-14(8-6-12)18-10-9-17-16(18)20/h5-8,13H,3-4,9-11H2,1-2H3,(H,17,20)
InChIKeyOFBTYZINSDFOQB-UHFFFAOYSA-N
MW290.36 g/mol
LogP2.35
Rot. Bonds6

About methyl 2-[[4-(2-oxoimidazolidin-1-yl)phenyl]methyl]pentanoate

methyl 2-[[4-(2-oxoimidazolidin-1-yl)phenyl]methyl]pentanoate (PubChem CID 70073360) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is methyl 2-[[4-(2-oxoimidazolidin-1-yl)phenyl]methyl]pentanoate.

Molecular Properties

Compound Namemethyl 2-[[4-(2-oxoimidazolidin-1-yl)phenyl]methyl]pentanoate
PubChem CID70073360
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Namemethyl 2-[[4-(2-oxoimidazolidin-1-yl)phenyl]methyl]pentanoate
SMILESCCCC(Cc1ccc(N2CCNC2=O)cc1)C(=O)OC
InChIInChI=1S/C16H22N2O3/c1-3-4-13(15(19)21-2)11-12-5-7-14(8-6-12)18-10-9-17-16(18)20/h5-8,13H,3-4,9-11H2,1-2H3,(H,17,20)
InChIKeyOFBTYZINSDFOQB-UHFFFAOYSA-N
XLogP2.35
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze methyl 2-[[4-(2-oxoimidazolidin-1-yl)phenyl]methyl]pentanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[4-(2-oxoimidazolidin-1-yl)phenyl]methyl]pentanoate?
The IUPAC name of methyl 2-[[4-(2-oxoimidazolidin-1-yl)phenyl]methyl]pentanoate (CID 70073360) is methyl 2-[[4-(2-oxoimidazolidin-1-yl)phenyl]methyl]pentanoate.
What is the SMILES notation for methyl 2-[[4-(2-oxoimidazolidin-1-yl)phenyl]methyl]pentanoate?
The canonical SMILES for methyl 2-[[4-(2-oxoimidazolidin-1-yl)phenyl]methyl]pentanoate is CCCC(Cc1ccc(N2CCNC2=O)cc1)C(=O)OC.
What is the InChIKey of methyl 2-[[4-(2-oxoimidazolidin-1-yl)phenyl]methyl]pentanoate?
The InChIKey is OFBTYZINSDFOQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-3-4-13(15(19)21-2)11-12-5-7-14(8-6-12)18-10-9-17-16(18)20/h5-8,13H,3-4,9-11H2,1-2H3,(H,17,20).
What are the key properties of methyl 2-[[4-(2-oxoimidazolidin-1-yl)phenyl]methyl]pentanoate?
methyl 2-[[4-(2-oxoimidazolidin-1-yl)phenyl]methyl]pentanoate has a molecular weight of 290.36 g/mol, XLogP of 2.35, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[4-(2-oxoimidazolidin-1-yl)phenyl]methyl]pentanoate is sourced from PubChem (CID 70073360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).