1-benzoyl-5-iminoimidazolidin-2-one;benzoyl isocyanate

C18H14N4O4 — CID 162215448

IUPAC1-benzoyl-5-iminoimidazolidin-2-one;benzoyl isocyanate
SMILESO=C=NC(=O)c1ccccc1.[H]/N=C1\CNC(=O)N1C(=O)c1ccccc1
InChIInChI=1S/C10H9N3O2.C8H5NO2/c11-8-6-12-10(15)13(8)9(14)7-4-2-1-3-5-7;10-6-9-8(11)7-4-2-1-3-5-7/h1-5,11H,6H2,(H,12,15);1-5H/b11-8+;
InChIKeyZTKAVDDAPRZMEG-YGCVIUNWSA-N
MW350.33 g/mol
LogP1.99
Rot. Bonds2

About 1-benzoyl-5-iminoimidazolidin-2-one;benzoyl isocyanate

1-benzoyl-5-iminoimidazolidin-2-one;benzoyl isocyanate (PubChem CID 162215448) has the molecular formula C18H14N4O4 and a molecular weight of 350.33 g/mol. Its IUPAC name is 1-benzoyl-5-iminoimidazolidin-2-one;benzoyl isocyanate.

Molecular Properties

Compound Name1-benzoyl-5-iminoimidazolidin-2-one;benzoyl isocyanate
PubChem CID162215448
Molecular FormulaC18H14N4O4
Molecular Weight350.33 g/mol
Exact Mass350.10
IUPAC Name1-benzoyl-5-iminoimidazolidin-2-one;benzoyl isocyanate
SMILESO=C=NC(=O)c1ccccc1.[H]/N=C1\CNC(=O)N1C(=O)c1ccccc1
InChIInChI=1S/C10H9N3O2.C8H5NO2/c11-8-6-12-10(15)13(8)9(14)7-4-2-1-3-5-7;10-6-9-8(11)7-4-2-1-3-5-7/h1-5,11H,6H2,(H,12,15);1-5H/b11-8+;
InChIKeyZTKAVDDAPRZMEG-YGCVIUNWSA-N
XLogP1.99
TPSA119.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.33
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-benzoyl-5-iminoimidazolidin-2-one;benzoyl isocyanate?
The IUPAC name of 1-benzoyl-5-iminoimidazolidin-2-one;benzoyl isocyanate (CID 162215448) is 1-benzoyl-5-iminoimidazolidin-2-one;benzoyl isocyanate.
What is the SMILES notation for 1-benzoyl-5-iminoimidazolidin-2-one;benzoyl isocyanate?
The canonical SMILES for 1-benzoyl-5-iminoimidazolidin-2-one;benzoyl isocyanate is O=C=NC(=O)c1ccccc1.[H]/N=C1\CNC(=O)N1C(=O)c1ccccc1.
What is the InChIKey of 1-benzoyl-5-iminoimidazolidin-2-one;benzoyl isocyanate?
The InChIKey is ZTKAVDDAPRZMEG-YGCVIUNWSA-N. The full InChI is InChI=1S/C10H9N3O2.C8H5NO2/c11-8-6-12-10(15)13(8)9(14)7-4-2-1-3-5-7;10-6-9-8(11)7-4-2-1-3-5-7/h1-5,11H,6H2,(H,12,15);1-5H/b11-8+;.
What are the key properties of 1-benzoyl-5-iminoimidazolidin-2-one;benzoyl isocyanate?
1-benzoyl-5-iminoimidazolidin-2-one;benzoyl isocyanate has a molecular weight of 350.33 g/mol, XLogP of 1.99, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzoyl-5-iminoimidazolidin-2-one;benzoyl isocyanate is sourced from PubChem (CID 162215448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).