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

C16H13ClN4O3 — CID 110747582

IUPAC1-(4-chlorophenyl)-3-[4-(2,5-dioxoimidazolidin-4-yl)phenyl]urea
SMILESO=C(Nc1ccc(Cl)cc1)Nc1ccc(C2NC(=O)NC2=O)cc1
InChIInChI=1S/C16H13ClN4O3/c17-10-3-7-12(8-4-10)19-15(23)18-11-5-1-9(2-6-11)13-14(22)21-16(24)20-13/h1-8,13H,(H2,18,19,23)(H2,20,21,22,24)
InChIKeyWCRMAMINFIYPEP-UHFFFAOYSA-N
MW344.76 g/mol
LogP2.86
Rot. Bonds3

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

1-(4-chlorophenyl)-3-[4-(2,5-dioxoimidazolidin-4-yl)phenyl]urea (PubChem CID 110747582) has the molecular formula C16H13ClN4O3 and a molecular weight of 344.76 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-[4-(2,5-dioxoimidazolidin-4-yl)phenyl]urea.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-[4-(2,5-dioxoimidazolidin-4-yl)phenyl]urea
PubChem CID110747582
Molecular FormulaC16H13ClN4O3
Molecular Weight344.76 g/mol
Exact Mass344.07
IUPAC Name1-(4-chlorophenyl)-3-[4-(2,5-dioxoimidazolidin-4-yl)phenyl]urea
SMILESO=C(Nc1ccc(Cl)cc1)Nc1ccc(C2NC(=O)NC2=O)cc1
InChIInChI=1S/C16H13ClN4O3/c17-10-3-7-12(8-4-10)19-15(23)18-11-5-1-9(2-6-11)13-14(22)21-16(24)20-13/h1-8,13H,(H2,18,19,23)(H2,20,21,22,24)
InChIKeyWCRMAMINFIYPEP-UHFFFAOYSA-N
XLogP2.86
TPSA99.33 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.76
LogP ≤ 52.86
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-[4-(2,5-dioxoimidazolidin-4-yl)phenyl]-2,3,4-trifluorobenzamide
CID 110715272
2-(dimethylamino)-N-[4-[(4R)-2,5-dioxoimidazolidin-4-yl]phenyl]acetamide
CID 141182507
(4S)-4-(4-chlorophenyl)-6-methyl-N-(4-methylphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 1014349
5-(4-hydroxyphenyl)imidazolidine-2,4-dione
CID 159859205
N-(4-bromophenyl)-4-(4-chlorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 2861522
(4R)-N-(4-chlorophenyl)-4-[4-(dimethylamino)phenyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 1083615
2-(2-bicyclo[2.2.1]heptanyl)-N-[4-(2,5-dioxoimidazolidin-4-yl)phenyl]acetamide
CID 126834418
N-(4-chlorophenyl)-6-methyl-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 2860777
[4-[(4S)-2,5-dioxoimidazolidin-4-yl]phenyl]boronic acid
CID 99773063
5-phenyl-(411C)1,3-diazolidine-2,4-dione
CID 90678716
1-(4-chlorophenyl)-3-(2-oxoazepan-3-yl)urea
CID 2805571
5-(4-phenylphenyl)imidazolidine-2,4-dione
CID 16788632

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-[4-(2,5-dioxoimidazolidin-4-yl)phenyl]urea?
The IUPAC name of 1-(4-chlorophenyl)-3-[4-(2,5-dioxoimidazolidin-4-yl)phenyl]urea (CID 110747582) is 1-(4-chlorophenyl)-3-[4-(2,5-dioxoimidazolidin-4-yl)phenyl]urea.
What is the SMILES notation for 1-(4-chlorophenyl)-3-[4-(2,5-dioxoimidazolidin-4-yl)phenyl]urea?
The canonical SMILES for 1-(4-chlorophenyl)-3-[4-(2,5-dioxoimidazolidin-4-yl)phenyl]urea is O=C(Nc1ccc(Cl)cc1)Nc1ccc(C2NC(=O)NC2=O)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-3-[4-(2,5-dioxoimidazolidin-4-yl)phenyl]urea?
The InChIKey is WCRMAMINFIYPEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN4O3/c17-10-3-7-12(8-4-10)19-15(23)18-11-5-1-9(2-6-11)13-14(22)21-16(24)20-13/h1-8,13H,(H2,18,19,23)(H2,20,21,22,24).
What are the key properties of 1-(4-chlorophenyl)-3-[4-(2,5-dioxoimidazolidin-4-yl)phenyl]urea?
1-(4-chlorophenyl)-3-[4-(2,5-dioxoimidazolidin-4-yl)phenyl]urea has a molecular weight of 344.76 g/mol, XLogP of 2.86, 3 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-[4-(2,5-dioxoimidazolidin-4-yl)phenyl]urea is sourced from PubChem (CID 110747582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).