(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)methyl 2,2,2-trichloroethanimidate

C18H14Cl3N3O3 — CID 23650796

IUPAC(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)methyl 2,2,2-trichloroethanimidate
SMILES[H]/N=C(/OCN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O)C(Cl)(Cl)Cl
InChIInChI=1S/C18H14Cl3N3O3/c19-18(20,21)14(22)27-11-24-15(25)17(23-16(24)26,12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10,22H,11H2,(H,23,26)/b22-14+
InChIKeyUQDYTOKWAYUNRU-HYARGMPZSA-N
MW426.69 g/mol
LogP3.80
Rot. Bonds4

About (2,5-dioxo-4,4-diphenylimidazolidin-1-yl)methyl 2,2,2-trichloroethanimidate

(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)methyl 2,2,2-trichloroethanimidate (PubChem CID 23650796) has the molecular formula C18H14Cl3N3O3 and a molecular weight of 426.69 g/mol. Its IUPAC name is (2,5-dioxo-4,4-diphenylimidazolidin-1-yl)methyl 2,2,2-trichloroethanimidate.

Molecular Properties

Compound Name(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)methyl 2,2,2-trichloroethanimidate
PubChem CID23650796
Molecular FormulaC18H14Cl3N3O3
Molecular Weight426.69 g/mol
Exact Mass425.01
IUPAC Name(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)methyl 2,2,2-trichloroethanimidate
SMILES[H]/N=C(/OCN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O)C(Cl)(Cl)Cl
InChIInChI=1S/C18H14Cl3N3O3/c19-18(20,21)14(22)27-11-24-15(25)17(23-16(24)26,12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10,22H,11H2,(H,23,26)/b22-14+
InChIKeyUQDYTOKWAYUNRU-HYARGMPZSA-N
XLogP3.80
TPSA82.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.69
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

[2-[(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)methoxy]-2-oxoethyl]-trimethylazanium
CID 54027160
(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)methoxy-oxophosphanium
CID 173376528
3-(2-oxobutyl)-5,5-diphenylimidazolidine-2,4-dione
CID 51108463
(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)methyl (2R)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoate
CID 10257300
S-[(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)methyl] 2-aminoethanethioate
CID 54266354
2-[(2R)-1-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)-2-methyl-3-oxopropan-2-yl]guanidine
CID 145280331
3-[(4-methylphenyl)methyl]-5,5-diphenylimidazolidine-2,4-dione
CID 4810451
5,5-diphenyl-3-(3-sulfanylpropyl)imidazolidine-2,4-dione
CID 102066490
2-amino-5-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)pentanoic acid
CID 3084726
ethyl 2-[2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)ethoxy]acetate
CID 75425557
3-[2-(2,4-dichlorophenoxy)ethyl]-5,5-diphenylimidazolidine-2,4-dione
CID 5095700
3-decyl-5,5-diphenylimidazolidine-2,4-dione
CID 11696827

Frequently Asked Questions

What is the IUPAC name of (2,5-dioxo-4,4-diphenylimidazolidin-1-yl)methyl 2,2,2-trichloroethanimidate?
The IUPAC name of (2,5-dioxo-4,4-diphenylimidazolidin-1-yl)methyl 2,2,2-trichloroethanimidate (CID 23650796) is (2,5-dioxo-4,4-diphenylimidazolidin-1-yl)methyl 2,2,2-trichloroethanimidate.
What is the SMILES notation for (2,5-dioxo-4,4-diphenylimidazolidin-1-yl)methyl 2,2,2-trichloroethanimidate?
The canonical SMILES for (2,5-dioxo-4,4-diphenylimidazolidin-1-yl)methyl 2,2,2-trichloroethanimidate is [H]/N=C(/OCN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O)C(Cl)(Cl)Cl.
What is the InChIKey of (2,5-dioxo-4,4-diphenylimidazolidin-1-yl)methyl 2,2,2-trichloroethanimidate?
The InChIKey is UQDYTOKWAYUNRU-HYARGMPZSA-N. The full InChI is InChI=1S/C18H14Cl3N3O3/c19-18(20,21)14(22)27-11-24-15(25)17(23-16(24)26,12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10,22H,11H2,(H,23,26)/b22-14+.
What are the key properties of (2,5-dioxo-4,4-diphenylimidazolidin-1-yl)methyl 2,2,2-trichloroethanimidate?
(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)methyl 2,2,2-trichloroethanimidate has a molecular weight of 426.69 g/mol, XLogP of 3.80, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dioxo-4,4-diphenylimidazolidin-1-yl)methyl 2,2,2-trichloroethanimidate is sourced from PubChem (CID 23650796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).