1-benzyl-3-[3-(2,5-dioxoimidazolidin-4-yl)phenyl]urea

C17H16N4O3 — CID 110747610

IUPAC1-benzyl-3-[3-(2,5-dioxoimidazolidin-4-yl)phenyl]urea
SMILESO=C(NCc1ccccc1)Nc1cccc(C2NC(=O)NC2=O)c1
InChIInChI=1S/C17H16N4O3/c22-15-14(20-17(24)21-15)12-7-4-8-13(9-12)19-16(23)18-10-11-5-2-1-3-6-11/h1-9,14H,10H2,(H2,18,19,23)(H2,20,21,22,24)
InChIKeyPYNOGFGKUSFRHE-UHFFFAOYSA-N
MW324.34 g/mol
LogP1.89
Rot. Bonds4

About 1-benzyl-3-[3-(2,5-dioxoimidazolidin-4-yl)phenyl]urea

1-benzyl-3-[3-(2,5-dioxoimidazolidin-4-yl)phenyl]urea (PubChem CID 110747610) has the molecular formula C17H16N4O3 and a molecular weight of 324.34 g/mol. Its IUPAC name is 1-benzyl-3-[3-(2,5-dioxoimidazolidin-4-yl)phenyl]urea.

Molecular Properties

Compound Name1-benzyl-3-[3-(2,5-dioxoimidazolidin-4-yl)phenyl]urea
PubChem CID110747610
Molecular FormulaC17H16N4O3
Molecular Weight324.34 g/mol
Exact Mass324.12
IUPAC Name1-benzyl-3-[3-(2,5-dioxoimidazolidin-4-yl)phenyl]urea
SMILESO=C(NCc1ccccc1)Nc1cccc(C2NC(=O)NC2=O)c1
InChIInChI=1S/C17H16N4O3/c22-15-14(20-17(24)21-15)12-7-4-8-13(9-12)19-16(23)18-10-11-5-2-1-3-6-11/h1-9,14H,10H2,(H2,18,19,23)(H2,20,21,22,24)
InChIKeyPYNOGFGKUSFRHE-UHFFFAOYSA-N
XLogP1.89
TPSA99.33 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.34
LogP ≤ 51.89
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(2,5-dioxoimidazolidin-4-yl)phenyl]-3,4-difluorobenzamide
CID 110715466
1-[3-(3-aminopropyl)phenyl]-3-benzylurea
CID 107654561
5-phenyl-(411C)1,3-diazolidine-2,4-dione
CID 90678716
ethyl 6-[3-(benzylcarbamoylamino)phenyl]-3,4-dimethyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate
CID 3929938
ethyl 6-[3-(benzylcarbamoylamino)phenyl]-3-butyl-2-oxo-4-phenyl-1,6-dihydropyrimidine-5-carboxylate
CID 42661630
N-[3-(2,5-dioxoimidazolidin-4-yl)phenyl]-2-(3-methylphenoxy)acetamide
CID 110715491
3-cyano-N-[3-(2,5-dioxoimidazolidin-4-yl)phenyl]benzamide
CID 110715446
1-benzyl-3-[3-(2-phenylethynyl)phenyl]urea
CID 112825541
N-[3-(benzylcarbamoylamino)phenyl]-2-methylpropanamide
CID 38884339
1-benzyl-3-(3-methylsulfanylphenyl)urea
CID 2822822
1-(4-anilinophenyl)-3-benzylurea
CID 24664594
1-[2-(2,5-dioxoimidazolidin-4-yl)ethyl]-3-phenylurea
CID 110748117

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-[3-(2,5-dioxoimidazolidin-4-yl)phenyl]urea?
The IUPAC name of 1-benzyl-3-[3-(2,5-dioxoimidazolidin-4-yl)phenyl]urea (CID 110747610) is 1-benzyl-3-[3-(2,5-dioxoimidazolidin-4-yl)phenyl]urea.
What is the SMILES notation for 1-benzyl-3-[3-(2,5-dioxoimidazolidin-4-yl)phenyl]urea?
The canonical SMILES for 1-benzyl-3-[3-(2,5-dioxoimidazolidin-4-yl)phenyl]urea is O=C(NCc1ccccc1)Nc1cccc(C2NC(=O)NC2=O)c1.
What is the InChIKey of 1-benzyl-3-[3-(2,5-dioxoimidazolidin-4-yl)phenyl]urea?
The InChIKey is PYNOGFGKUSFRHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O3/c22-15-14(20-17(24)21-15)12-7-4-8-13(9-12)19-16(23)18-10-11-5-2-1-3-6-11/h1-9,14H,10H2,(H2,18,19,23)(H2,20,21,22,24).
What are the key properties of 1-benzyl-3-[3-(2,5-dioxoimidazolidin-4-yl)phenyl]urea?
1-benzyl-3-[3-(2,5-dioxoimidazolidin-4-yl)phenyl]urea has a molecular weight of 324.34 g/mol, XLogP of 1.89, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-[3-(2,5-dioxoimidazolidin-4-yl)phenyl]urea is sourced from PubChem (CID 110747610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).