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

C20H22N4O3 — CID 15035941

IUPACmethyl 3-[3-[4-(4-carbamimidoylphenyl)phenyl]-2-oxoimidazolidin-1-yl]propanoate
SMILES[H]/N=C(\N)c1ccc(-c2ccc(N3CCN(CCC(=O)OC)C3=O)cc2)cc1
InChIInChI=1S/C20H22N4O3/c1-27-18(25)10-11-23-12-13-24(20(23)26)17-8-6-15(7-9-17)14-2-4-16(5-3-14)19(21)22/h2-9H,10-13H2,1H3,(H3,21,22)
InChIKeyFWVGOWWYNZZCAN-UHFFFAOYSA-N
MW366.42 g/mol
LogP2.44
Rot. Bonds6

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

methyl 3-[3-[4-(4-carbamimidoylphenyl)phenyl]-2-oxoimidazolidin-1-yl]propanoate (PubChem CID 15035941) has the molecular formula C20H22N4O3 and a molecular weight of 366.42 g/mol. Its IUPAC name is methyl 3-[3-[4-(4-carbamimidoylphenyl)phenyl]-2-oxoimidazolidin-1-yl]propanoate.

Molecular Properties

Compound Namemethyl 3-[3-[4-(4-carbamimidoylphenyl)phenyl]-2-oxoimidazolidin-1-yl]propanoate
PubChem CID15035941
Molecular FormulaC20H22N4O3
Molecular Weight366.42 g/mol
Exact Mass366.17
IUPAC Namemethyl 3-[3-[4-(4-carbamimidoylphenyl)phenyl]-2-oxoimidazolidin-1-yl]propanoate
SMILES[H]/N=C(\N)c1ccc(-c2ccc(N3CCN(CCC(=O)OC)C3=O)cc2)cc1
InChIInChI=1S/C20H22N4O3/c1-27-18(25)10-11-23-12-13-24(20(23)26)17-8-6-15(7-9-17)14-2-4-16(5-3-14)19(21)22/h2-9H,10-13H2,1H3,(H3,21,22)
InChIKeyFWVGOWWYNZZCAN-UHFFFAOYSA-N
XLogP2.44
TPSA99.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze methyl 3-[3-[4-(4-carbamimidoylphenyl)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-(4-carbamimidoylphenyl)phenyl]-2-oxoimidazolidin-1-yl]propanoate?
The IUPAC name of methyl 3-[3-[4-(4-carbamimidoylphenyl)phenyl]-2-oxoimidazolidin-1-yl]propanoate (CID 15035941) is methyl 3-[3-[4-(4-carbamimidoylphenyl)phenyl]-2-oxoimidazolidin-1-yl]propanoate.
What is the SMILES notation for methyl 3-[3-[4-(4-carbamimidoylphenyl)phenyl]-2-oxoimidazolidin-1-yl]propanoate?
The canonical SMILES for methyl 3-[3-[4-(4-carbamimidoylphenyl)phenyl]-2-oxoimidazolidin-1-yl]propanoate is [H]/N=C(\N)c1ccc(-c2ccc(N3CCN(CCC(=O)OC)C3=O)cc2)cc1.
What is the InChIKey of methyl 3-[3-[4-(4-carbamimidoylphenyl)phenyl]-2-oxoimidazolidin-1-yl]propanoate?
The InChIKey is FWVGOWWYNZZCAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O3/c1-27-18(25)10-11-23-12-13-24(20(23)26)17-8-6-15(7-9-17)14-2-4-16(5-3-14)19(21)22/h2-9H,10-13H2,1H3,(H3,21,22).
What are the key properties of methyl 3-[3-[4-(4-carbamimidoylphenyl)phenyl]-2-oxoimidazolidin-1-yl]propanoate?
methyl 3-[3-[4-(4-carbamimidoylphenyl)phenyl]-2-oxoimidazolidin-1-yl]propanoate has a molecular weight of 366.42 g/mol, XLogP of 2.44, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[3-[4-(4-carbamimidoylphenyl)phenyl]-2-oxoimidazolidin-1-yl]propanoate is sourced from PubChem (CID 15035941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).