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

C19H20N4O3 — CID 15035937

IUPACmethyl 2-[3-[4-(4-carbamimidoylphenyl)phenyl]-2-oxoimidazolidin-1-yl]acetate
SMILES[H]/N=C(\N)c1ccc(-c2ccc(N3CCN(CC(=O)OC)C3=O)cc2)cc1
InChIInChI=1S/C19H20N4O3/c1-26-17(24)12-22-10-11-23(19(22)25)16-8-6-14(7-9-16)13-2-4-15(5-3-13)18(20)21/h2-9H,10-12H2,1H3,(H3,20,21)
InChIKeyNOZGAWJMGDNPOY-UHFFFAOYSA-N
MW352.39 g/mol
LogP2.05
Rot. Bonds5

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

methyl 2-[3-[4-(4-carbamimidoylphenyl)phenyl]-2-oxoimidazolidin-1-yl]acetate (PubChem CID 15035937) has the molecular formula C19H20N4O3 and a molecular weight of 352.39 g/mol. Its IUPAC name is methyl 2-[3-[4-(4-carbamimidoylphenyl)phenyl]-2-oxoimidazolidin-1-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[3-[4-(4-carbamimidoylphenyl)phenyl]-2-oxoimidazolidin-1-yl]acetate
PubChem CID15035937
Molecular FormulaC19H20N4O3
Molecular Weight352.39 g/mol
Exact Mass352.15
IUPAC Namemethyl 2-[3-[4-(4-carbamimidoylphenyl)phenyl]-2-oxoimidazolidin-1-yl]acetate
SMILES[H]/N=C(\N)c1ccc(-c2ccc(N3CCN(CC(=O)OC)C3=O)cc2)cc1
InChIInChI=1S/C19H20N4O3/c1-26-17(24)12-22-10-11-23(19(22)25)16-8-6-14(7-9-16)13-2-4-15(5-3-13)18(20)21/h2-9H,10-12H2,1H3,(H3,20,21)
InChIKeyNOZGAWJMGDNPOY-UHFFFAOYSA-N
XLogP2.05
TPSA99.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 52.05
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'}

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[3-[4-(4-carbamimidoylphenyl)phenyl]-2-oxoimidazolidin-1-yl]acetate?
The IUPAC name of methyl 2-[3-[4-(4-carbamimidoylphenyl)phenyl]-2-oxoimidazolidin-1-yl]acetate (CID 15035937) is methyl 2-[3-[4-(4-carbamimidoylphenyl)phenyl]-2-oxoimidazolidin-1-yl]acetate.
What is the SMILES notation for methyl 2-[3-[4-(4-carbamimidoylphenyl)phenyl]-2-oxoimidazolidin-1-yl]acetate?
The canonical SMILES for methyl 2-[3-[4-(4-carbamimidoylphenyl)phenyl]-2-oxoimidazolidin-1-yl]acetate is [H]/N=C(\N)c1ccc(-c2ccc(N3CCN(CC(=O)OC)C3=O)cc2)cc1.
What is the InChIKey of methyl 2-[3-[4-(4-carbamimidoylphenyl)phenyl]-2-oxoimidazolidin-1-yl]acetate?
The InChIKey is NOZGAWJMGDNPOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O3/c1-26-17(24)12-22-10-11-23(19(22)25)16-8-6-14(7-9-16)13-2-4-15(5-3-13)18(20)21/h2-9H,10-12H2,1H3,(H3,20,21).
What are the key properties of methyl 2-[3-[4-(4-carbamimidoylphenyl)phenyl]-2-oxoimidazolidin-1-yl]acetate?
methyl 2-[3-[4-(4-carbamimidoylphenyl)phenyl]-2-oxoimidazolidin-1-yl]acetate has a molecular weight of 352.39 g/mol, XLogP of 2.05, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[3-[4-(4-carbamimidoylphenyl)phenyl]-2-oxoimidazolidin-1-yl]acetate is sourced from PubChem (CID 15035937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).