1-[2-(2,5-dioxoimidazolidin-4-yl)ethyl]-3-phenylurea

C12H14N4O3 — CID 110748117

IUPAC1-[2-(2,5-dioxoimidazolidin-4-yl)ethyl]-3-phenylurea
SMILESO=C(NCCC1NC(=O)NC1=O)Nc1ccccc1
InChIInChI=1S/C12H14N4O3/c17-10-9(15-12(19)16-10)6-7-13-11(18)14-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H2,13,14,18)(H2,15,16,17,19)
InChIKeyOZHDUWARPOJWSA-UHFFFAOYSA-N
MW262.27 g/mol
LogP0.41
Rot. Bonds4

About 1-[2-(2,5-dioxoimidazolidin-4-yl)ethyl]-3-phenylurea

1-[2-(2,5-dioxoimidazolidin-4-yl)ethyl]-3-phenylurea (PubChem CID 110748117) has the molecular formula C12H14N4O3 and a molecular weight of 262.27 g/mol. Its IUPAC name is 1-[2-(2,5-dioxoimidazolidin-4-yl)ethyl]-3-phenylurea.

Molecular Properties

Compound Name1-[2-(2,5-dioxoimidazolidin-4-yl)ethyl]-3-phenylurea
PubChem CID110748117
Molecular FormulaC12H14N4O3
Molecular Weight262.27 g/mol
Exact Mass262.11
IUPAC Name1-[2-(2,5-dioxoimidazolidin-4-yl)ethyl]-3-phenylurea
SMILESO=C(NCCC1NC(=O)NC1=O)Nc1ccccc1
InChIInChI=1S/C12H14N4O3/c17-10-9(15-12(19)16-10)6-7-13-11(18)14-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H2,13,14,18)(H2,15,16,17,19)
InChIKeyOZHDUWARPOJWSA-UHFFFAOYSA-N
XLogP0.41
TPSA99.33 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.27
LogP ≤ 50.41
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

1-(3-chlorophenyl)-3-[2-(2,5-dioxoimidazolidin-4-yl)ethyl]urea
CID 110748119
1-[2-[(3S)-2-oxo-1,3-dihydroindol-3-yl]ethyl]-3-phenylurea
CID 31771075
3-acetamido-N-[2-(2,5-dioxoimidazolidin-4-yl)ethyl]benzamide
CID 110743570
1-tert-butyl-3-[2-(2,5-dioxoimidazolidin-4-yl)ethyl]urea
CID 110748123
N-[2-(2,5-dioxoimidazolidin-4-yl)ethyl]thiophene-2-carboxamide
CID 110722106
1-[2-[(1R)-2,2-dichlorocyclopropyl]ethyl]-3-phenylurea
CID 6929498
1-(4-chlorophenyl)-3-[2-(2-oxo-1,3-dihydroindol-3-yl)ethyl]urea
CID 110748774
N-[2-(2,5-dioxoimidazolidin-4-yl)ethyl]-2,6-dimethoxybenzamide
CID 110722124
5-phenacylimidazolidine-2,4-dione
CID 15716927
3-[(4S)-2,5-dioxoimidazolidin-4-yl]-N-(2-phenylsulfanylethyl)propanamide
CID 39969885
1-benzyl-3-[3-(2,5-dioxoimidazolidin-4-yl)phenyl]urea
CID 110747610
1-phenyl-3-(2-piperidin-3-ylethyl)urea
CID 60895337

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,5-dioxoimidazolidin-4-yl)ethyl]-3-phenylurea?
The IUPAC name of 1-[2-(2,5-dioxoimidazolidin-4-yl)ethyl]-3-phenylurea (CID 110748117) is 1-[2-(2,5-dioxoimidazolidin-4-yl)ethyl]-3-phenylurea.
What is the SMILES notation for 1-[2-(2,5-dioxoimidazolidin-4-yl)ethyl]-3-phenylurea?
The canonical SMILES for 1-[2-(2,5-dioxoimidazolidin-4-yl)ethyl]-3-phenylurea is O=C(NCCC1NC(=O)NC1=O)Nc1ccccc1.
What is the InChIKey of 1-[2-(2,5-dioxoimidazolidin-4-yl)ethyl]-3-phenylurea?
The InChIKey is OZHDUWARPOJWSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O3/c17-10-9(15-12(19)16-10)6-7-13-11(18)14-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H2,13,14,18)(H2,15,16,17,19).
What are the key properties of 1-[2-(2,5-dioxoimidazolidin-4-yl)ethyl]-3-phenylurea?
1-[2-(2,5-dioxoimidazolidin-4-yl)ethyl]-3-phenylurea has a molecular weight of 262.27 g/mol, XLogP of 0.41, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,5-dioxoimidazolidin-4-yl)ethyl]-3-phenylurea is sourced from PubChem (CID 110748117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).