[3-(4-chlorophenyl)-1-(2,6-dichlorobenzoyl)-2,5-dioxoimidazolidin-4-yl]urea

C17H11Cl3N4O4 — CID 67917148

IUPAC[3-(4-chlorophenyl)-1-(2,6-dichlorobenzoyl)-2,5-dioxoimidazolidin-4-yl]urea
SMILESNC(=O)NC1C(=O)N(C(=O)c2c(Cl)cccc2Cl)C(=O)N1c1ccc(Cl)cc1
InChIInChI=1S/C17H11Cl3N4O4/c18-8-4-6-9(7-5-8)23-13(22-16(21)27)15(26)24(17(23)28)14(25)12-10(19)2-1-3-11(12)20/h1-7,13H,(H3,21,22,27)
InChIKeyYOTDDFIKYKJBBF-UHFFFAOYSA-N
MW441.66 g/mol
LogP3.25
Rot. Bonds3

About [3-(4-chlorophenyl)-1-(2,6-dichlorobenzoyl)-2,5-dioxoimidazolidin-4-yl]urea

[3-(4-chlorophenyl)-1-(2,6-dichlorobenzoyl)-2,5-dioxoimidazolidin-4-yl]urea (PubChem CID 67917148) has the molecular formula C17H11Cl3N4O4 and a molecular weight of 441.66 g/mol. Its IUPAC name is [3-(4-chlorophenyl)-1-(2,6-dichlorobenzoyl)-2,5-dioxoimidazolidin-4-yl]urea.

Molecular Properties

Compound Name[3-(4-chlorophenyl)-1-(2,6-dichlorobenzoyl)-2,5-dioxoimidazolidin-4-yl]urea
PubChem CID67917148
Molecular FormulaC17H11Cl3N4O4
Molecular Weight441.66 g/mol
Exact Mass439.98
IUPAC Name[3-(4-chlorophenyl)-1-(2,6-dichlorobenzoyl)-2,5-dioxoimidazolidin-4-yl]urea
SMILESNC(=O)NC1C(=O)N(C(=O)c2c(Cl)cccc2Cl)C(=O)N1c1ccc(Cl)cc1
InChIInChI=1S/C17H11Cl3N4O4/c18-8-4-6-9(7-5-8)23-13(22-16(21)27)15(26)24(17(23)28)14(25)12-10(19)2-1-3-11(12)20/h1-7,13H,(H3,21,22,27)
InChIKeyYOTDDFIKYKJBBF-UHFFFAOYSA-N
XLogP3.25
TPSA112.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.66
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [3-(4-chlorophenyl)-1-(2,6-dichlorobenzoyl)-2,5-dioxoimidazolidin-4-yl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-chlorophenyl)-3-(2,6-dichlorobenzoyl)imidazolidine-2,4-dione
CID 19006415
2,6-dichlorobenzamide;hydrochloride
CID 172775002
2-(4-chlorophenyl)-3-(2,3-dichloroanilino)-3H-isoindol-1-one
CID 46256617
1-(3-chloro-2-methylphenyl)-3-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]urea
CID 43970493
3-amino-4-(2-chlorophenyl)-1-(4-chlorophenyl)azetidin-2-one
CID 102537060
(3S,5S)-1-(4-chlorophenyl)-5-(2,3-dichlorophenyl)-3-hydroxypyrrolidin-2-one
CID 69499318
3-(2-chloroanilino)-2-(4-chlorophenyl)-3H-isoindol-1-one
CID 20867151
(2S,4S)-1-(4-chlorophenyl)-4-methyl-5-oxopyrrolidine-2-carboxylic acid
CID 139835169
[(3R,5R)-3,5-bis(trifluoromethyl)piperidin-1-yl]-(2,6-dichlorophenyl)methanone
CID 125129727
2-chloro-6-(methylamino)benzamide
CID 58906344
(2,6-dichlorophenyl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 62370762
(3R,4R)-3-amino-4-(3-chlorophenyl)-1-(4-chlorophenyl)azetidin-2-one
CID 124504101

Frequently Asked Questions

What is the IUPAC name of [3-(4-chlorophenyl)-1-(2,6-dichlorobenzoyl)-2,5-dioxoimidazolidin-4-yl]urea?
The IUPAC name of [3-(4-chlorophenyl)-1-(2,6-dichlorobenzoyl)-2,5-dioxoimidazolidin-4-yl]urea (CID 67917148) is [3-(4-chlorophenyl)-1-(2,6-dichlorobenzoyl)-2,5-dioxoimidazolidin-4-yl]urea.
What is the SMILES notation for [3-(4-chlorophenyl)-1-(2,6-dichlorobenzoyl)-2,5-dioxoimidazolidin-4-yl]urea?
The canonical SMILES for [3-(4-chlorophenyl)-1-(2,6-dichlorobenzoyl)-2,5-dioxoimidazolidin-4-yl]urea is NC(=O)NC1C(=O)N(C(=O)c2c(Cl)cccc2Cl)C(=O)N1c1ccc(Cl)cc1.
What is the InChIKey of [3-(4-chlorophenyl)-1-(2,6-dichlorobenzoyl)-2,5-dioxoimidazolidin-4-yl]urea?
The InChIKey is YOTDDFIKYKJBBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11Cl3N4O4/c18-8-4-6-9(7-5-8)23-13(22-16(21)27)15(26)24(17(23)28)14(25)12-10(19)2-1-3-11(12)20/h1-7,13H,(H3,21,22,27).
What are the key properties of [3-(4-chlorophenyl)-1-(2,6-dichlorobenzoyl)-2,5-dioxoimidazolidin-4-yl]urea?
[3-(4-chlorophenyl)-1-(2,6-dichlorobenzoyl)-2,5-dioxoimidazolidin-4-yl]urea has a molecular weight of 441.66 g/mol, XLogP of 3.25, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-chlorophenyl)-1-(2,6-dichlorobenzoyl)-2,5-dioxoimidazolidin-4-yl]urea is sourced from PubChem (CID 67917148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).