methyl 3-[3-[4-(5-cyanopyrimidin-2-yl)phenyl]-2-oxoimidazolidin-1-yl]propanoate

C18H17N5O3 — CID 19032616

IUPACmethyl 3-[3-[4-(5-cyanopyrimidin-2-yl)phenyl]-2-oxoimidazolidin-1-yl]propanoate
SMILESCOC(=O)CCN1CCN(c2ccc(-c3ncc(C#N)cn3)cc2)C1=O
InChIInChI=1S/C18H17N5O3/c1-26-16(24)6-7-22-8-9-23(18(22)25)15-4-2-14(3-5-15)17-20-11-13(10-19)12-21-17/h2-5,11-12H,6-9H2,1H3
InChIKeyXIXMSIGFHDRZRE-UHFFFAOYSA-N
MW351.37 g/mol
LogP1.82
Rot. Bonds5

About methyl 3-[3-[4-(5-cyanopyrimidin-2-yl)phenyl]-2-oxoimidazolidin-1-yl]propanoate

methyl 3-[3-[4-(5-cyanopyrimidin-2-yl)phenyl]-2-oxoimidazolidin-1-yl]propanoate (PubChem CID 19032616) has the molecular formula C18H17N5O3 and a molecular weight of 351.37 g/mol. Its IUPAC name is methyl 3-[3-[4-(5-cyanopyrimidin-2-yl)phenyl]-2-oxoimidazolidin-1-yl]propanoate.

Molecular Properties

Compound Namemethyl 3-[3-[4-(5-cyanopyrimidin-2-yl)phenyl]-2-oxoimidazolidin-1-yl]propanoate
PubChem CID19032616
Molecular FormulaC18H17N5O3
Molecular Weight351.37 g/mol
Exact Mass351.13
IUPAC Namemethyl 3-[3-[4-(5-cyanopyrimidin-2-yl)phenyl]-2-oxoimidazolidin-1-yl]propanoate
SMILESCOC(=O)CCN1CCN(c2ccc(-c3ncc(C#N)cn3)cc2)C1=O
InChIInChI=1S/C18H17N5O3/c1-26-16(24)6-7-22-8-9-23(18(22)25)15-4-2-14(3-5-15)17-20-11-13(10-19)12-21-17/h2-5,11-12H,6-9H2,1H3
InChIKeyXIXMSIGFHDRZRE-UHFFFAOYSA-N
XLogP1.82
TPSA99.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.37
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl 3-[3-[4-(5-cyanopyrimidin-2-yl)phenyl]-2-oxoimidazolidin-1-yl]propanoate 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 3-[3-[4-(5-cyanopyrimidin-2-yl)phenyl]-2-oxoimidazolidin-1-yl]propanoate?
The IUPAC name of methyl 3-[3-[4-(5-cyanopyrimidin-2-yl)phenyl]-2-oxoimidazolidin-1-yl]propanoate (CID 19032616) is methyl 3-[3-[4-(5-cyanopyrimidin-2-yl)phenyl]-2-oxoimidazolidin-1-yl]propanoate.
What is the SMILES notation for methyl 3-[3-[4-(5-cyanopyrimidin-2-yl)phenyl]-2-oxoimidazolidin-1-yl]propanoate?
The canonical SMILES for methyl 3-[3-[4-(5-cyanopyrimidin-2-yl)phenyl]-2-oxoimidazolidin-1-yl]propanoate is COC(=O)CCN1CCN(c2ccc(-c3ncc(C#N)cn3)cc2)C1=O.
What is the InChIKey of methyl 3-[3-[4-(5-cyanopyrimidin-2-yl)phenyl]-2-oxoimidazolidin-1-yl]propanoate?
The InChIKey is XIXMSIGFHDRZRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O3/c1-26-16(24)6-7-22-8-9-23(18(22)25)15-4-2-14(3-5-15)17-20-11-13(10-19)12-21-17/h2-5,11-12H,6-9H2,1H3.
What are the key properties of methyl 3-[3-[4-(5-cyanopyrimidin-2-yl)phenyl]-2-oxoimidazolidin-1-yl]propanoate?
methyl 3-[3-[4-(5-cyanopyrimidin-2-yl)phenyl]-2-oxoimidazolidin-1-yl]propanoate has a molecular weight of 351.37 g/mol, XLogP of 1.82, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[3-[4-(5-cyanopyrimidin-2-yl)phenyl]-2-oxoimidazolidin-1-yl]propanoate is sourced from PubChem (CID 19032616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).