1-(4-chlorophenyl)-3-(2,6-dichlorobenzoyl)imidazolidine-2,4-dione

C16H9Cl3N2O3 — CID 19006415

IUPAC1-(4-chlorophenyl)-3-(2,6-dichlorobenzoyl)imidazolidine-2,4-dione
SMILESO=C1CN(c2ccc(Cl)cc2)C(=O)N1C(=O)c1c(Cl)cccc1Cl
InChIInChI=1S/C16H9Cl3N2O3/c17-9-4-6-10(7-5-9)20-8-13(22)21(16(20)24)15(23)14-11(18)2-1-3-12(14)19/h1-7H,8H2
InChIKeyAOXSVVRBGWTUJY-UHFFFAOYSA-N
MW383.62 g/mol
LogP4.26
Rot. Bonds2

About 1-(4-chlorophenyl)-3-(2,6-dichlorobenzoyl)imidazolidine-2,4-dione

1-(4-chlorophenyl)-3-(2,6-dichlorobenzoyl)imidazolidine-2,4-dione (PubChem CID 19006415) has the molecular formula C16H9Cl3N2O3 and a molecular weight of 383.62 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-(2,6-dichlorobenzoyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-(2,6-dichlorobenzoyl)imidazolidine-2,4-dione
PubChem CID19006415
Molecular FormulaC16H9Cl3N2O3
Molecular Weight383.62 g/mol
Exact Mass381.97
IUPAC Name1-(4-chlorophenyl)-3-(2,6-dichlorobenzoyl)imidazolidine-2,4-dione
SMILESO=C1CN(c2ccc(Cl)cc2)C(=O)N1C(=O)c1c(Cl)cccc1Cl
InChIInChI=1S/C16H9Cl3N2O3/c17-9-4-6-10(7-5-9)20-8-13(22)21(16(20)24)15(23)14-11(18)2-1-3-12(14)19/h1-7H,8H2
InChIKeyAOXSVVRBGWTUJY-UHFFFAOYSA-N
XLogP4.26
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.62
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[3-(4-chlorophenyl)-1-(2,6-dichlorobenzoyl)-2,5-dioxoimidazolidin-4-yl]urea
CID 67917148
4-(3-benzoyl-2,4-dioxoimidazolidin-1-yl)-N-methylbenzamide
CID 25164502
3-(naphthalene-2-carbonyl)-1-phenylimidazolidine-2,4-dione
CID 70203256
1-(4-chlorophenyl)-3-ethylimidazolidine-2,4-dione
CID 60837616
1-(4-chlorophenyl)-3-(4-methylphenyl)imidazolidine-2,4-dione
CID 60837458
8-chloro-4-(4-chlorophenyl)-1,3-dihydroquinoxalin-2-one
CID 104839596
azepan-1-yl-(2,6-dichlorophenyl)methanone
CID 644555
1-(4-chlorophenyl)-3-propylimidazolidine-2,4-dione
CID 60837459
1-(4-chlorophenyl)-3-(2,6-difluorobenzoyl)-5-phenyl-1,3,5-triazinan-2-one
CID 23034838
1-(3-chloro-2-methylphenyl)-3-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]urea
CID 43970493
1-(4-chlorophenyl)piperidin-2-one
CID 53422142
5-chloro-2-(4-chlorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 150748551

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-(2,6-dichlorobenzoyl)imidazolidine-2,4-dione?
The IUPAC name of 1-(4-chlorophenyl)-3-(2,6-dichlorobenzoyl)imidazolidine-2,4-dione (CID 19006415) is 1-(4-chlorophenyl)-3-(2,6-dichlorobenzoyl)imidazolidine-2,4-dione.
What is the SMILES notation for 1-(4-chlorophenyl)-3-(2,6-dichlorobenzoyl)imidazolidine-2,4-dione?
The canonical SMILES for 1-(4-chlorophenyl)-3-(2,6-dichlorobenzoyl)imidazolidine-2,4-dione is O=C1CN(c2ccc(Cl)cc2)C(=O)N1C(=O)c1c(Cl)cccc1Cl.
What is the InChIKey of 1-(4-chlorophenyl)-3-(2,6-dichlorobenzoyl)imidazolidine-2,4-dione?
The InChIKey is AOXSVVRBGWTUJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9Cl3N2O3/c17-9-4-6-10(7-5-9)20-8-13(22)21(16(20)24)15(23)14-11(18)2-1-3-12(14)19/h1-7H,8H2.
What are the key properties of 1-(4-chlorophenyl)-3-(2,6-dichlorobenzoyl)imidazolidine-2,4-dione?
1-(4-chlorophenyl)-3-(2,6-dichlorobenzoyl)imidazolidine-2,4-dione has a molecular weight of 383.62 g/mol, XLogP of 4.26, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-(2,6-dichlorobenzoyl)imidazolidine-2,4-dione is sourced from PubChem (CID 19006415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).