5,5-dichloro-1-(4-methoxyphenyl)imidazolidine-2,4-dione

C10H8Cl2N2O3 — CID 141228935

IUPAC5,5-dichloro-1-(4-methoxyphenyl)imidazolidine-2,4-dione
SMILESCOc1ccc(N2C(=O)NC(=O)C2(Cl)Cl)cc1
InChIInChI=1S/C10H8Cl2N2O3/c1-17-7-4-2-6(3-5-7)14-9(16)13-8(15)10(14,11)12/h2-5H,1H3,(H,13,15,16)
InChIKeyFUYPJILLWHKFKK-UHFFFAOYSA-N
MW275.09 g/mol
LogP1.88
Rot. Bonds2

About 5,5-dichloro-1-(4-methoxyphenyl)imidazolidine-2,4-dione

5,5-dichloro-1-(4-methoxyphenyl)imidazolidine-2,4-dione (PubChem CID 141228935) has the molecular formula C10H8Cl2N2O3 and a molecular weight of 275.09 g/mol. Its IUPAC name is 5,5-dichloro-1-(4-methoxyphenyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name5,5-dichloro-1-(4-methoxyphenyl)imidazolidine-2,4-dione
PubChem CID141228935
Molecular FormulaC10H8Cl2N2O3
Molecular Weight275.09 g/mol
Exact Mass273.99
IUPAC Name5,5-dichloro-1-(4-methoxyphenyl)imidazolidine-2,4-dione
SMILESCOc1ccc(N2C(=O)NC(=O)C2(Cl)Cl)cc1
InChIInChI=1S/C10H8Cl2N2O3/c1-17-7-4-2-6(3-5-7)14-9(16)13-8(15)10(14,11)12/h2-5H,1H3,(H,13,15,16)
InChIKeyFUYPJILLWHKFKK-UHFFFAOYSA-N
XLogP1.88
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.09
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

1,4-bis(4-methoxyphenyl)piperazine-2,5-dione
CID 585094
4,5,5-trichloro-2-(4-methoxyphenyl)-4-methyl-1,2-thiazolidin-3-one
CID 23333665
(2S)-3,3-dichloro-1-(4-methoxyphenyl)-4-oxoazetidine-2-carbaldehyde
CID 101046905
(4R,5R)-1,3,4,5-tetrakis(4-methoxyphenyl)imidazolidin-2-one
CID 11124062
1,3-bis(4-methoxyphenyl)-5,5-diphenylimidazolidine-2,4-dione
CID 135011161
4-ethyl-3-(4-methoxyphenyl)-4-methyl-5-methylidene-1,3-oxazolidin-2-one
CID 11701529
(2R,5S)-3-(4-methoxyphenyl)-5-methylspiro[1,3-thiazolidine-2,3'-1H-indole]-2',4-dione
CID 902536
5-fluoro-6-hydroxy-1-(4-methoxyphenyl)pyrimidine-2,4-dione
CID 112598223
1-[4-(3-methoxyphenoxy)phenyl]-1,7,9-triazaspiro[4.5]decane-2,6,8,10-tetrone
CID 10340642
5-methoxy-3-(4-methoxyphenyl)-1,3-oxazol-2-one
CID 22728491
5-fluoro-3'-(4-methoxyphenyl)spiro[1H-indole-3,2'-1H-quinazoline]-2,4'-dione
CID 139218295
6-amino-1-(4-methoxyphenyl)-1,3-diazinane-2,4-dione
CID 44509447

Frequently Asked Questions

What is the IUPAC name of 5,5-dichloro-1-(4-methoxyphenyl)imidazolidine-2,4-dione?
The IUPAC name of 5,5-dichloro-1-(4-methoxyphenyl)imidazolidine-2,4-dione (CID 141228935) is 5,5-dichloro-1-(4-methoxyphenyl)imidazolidine-2,4-dione.
What is the SMILES notation for 5,5-dichloro-1-(4-methoxyphenyl)imidazolidine-2,4-dione?
The canonical SMILES for 5,5-dichloro-1-(4-methoxyphenyl)imidazolidine-2,4-dione is COc1ccc(N2C(=O)NC(=O)C2(Cl)Cl)cc1.
What is the InChIKey of 5,5-dichloro-1-(4-methoxyphenyl)imidazolidine-2,4-dione?
The InChIKey is FUYPJILLWHKFKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8Cl2N2O3/c1-17-7-4-2-6(3-5-7)14-9(16)13-8(15)10(14,11)12/h2-5H,1H3,(H,13,15,16).
What are the key properties of 5,5-dichloro-1-(4-methoxyphenyl)imidazolidine-2,4-dione?
5,5-dichloro-1-(4-methoxyphenyl)imidazolidine-2,4-dione has a molecular weight of 275.09 g/mol, XLogP of 1.88, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dichloro-1-(4-methoxyphenyl)imidazolidine-2,4-dione is sourced from PubChem (CID 141228935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).