2-[3-(4-chlorophenyl)-2,5-dioxo-4,4-diphenylimidazolidin-1-yl]acetic acid

C23H17ClN2O4 — CID 21155109

IUPAC2-[3-(4-chlorophenyl)-2,5-dioxo-4,4-diphenylimidazolidin-1-yl]acetic acid
SMILESO=C(O)CN1C(=O)N(c2ccc(Cl)cc2)C(c2ccccc2)(c2ccccc2)C1=O
InChIInChI=1S/C23H17ClN2O4/c24-18-11-13-19(14-12-18)26-22(30)25(15-20(27)28)21(29)23(26,16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-14H,15H2,(H,27,28)
InChIKeyXRIBQKOWZKPELG-UHFFFAOYSA-N
MW420.85 g/mol
LogP4.14
Rot. Bonds5

About 2-[3-(4-chlorophenyl)-2,5-dioxo-4,4-diphenylimidazolidin-1-yl]acetic acid

2-[3-(4-chlorophenyl)-2,5-dioxo-4,4-diphenylimidazolidin-1-yl]acetic acid (PubChem CID 21155109) has the molecular formula C23H17ClN2O4 and a molecular weight of 420.85 g/mol. Its IUPAC name is 2-[3-(4-chlorophenyl)-2,5-dioxo-4,4-diphenylimidazolidin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[3-(4-chlorophenyl)-2,5-dioxo-4,4-diphenylimidazolidin-1-yl]acetic acid
PubChem CID21155109
Molecular FormulaC23H17ClN2O4
Molecular Weight420.85 g/mol
Exact Mass420.09
IUPAC Name2-[3-(4-chlorophenyl)-2,5-dioxo-4,4-diphenylimidazolidin-1-yl]acetic acid
SMILESO=C(O)CN1C(=O)N(c2ccc(Cl)cc2)C(c2ccccc2)(c2ccccc2)C1=O
InChIInChI=1S/C23H17ClN2O4/c24-18-11-13-19(14-12-18)26-22(30)25(15-20(27)28)21(29)23(26,16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-14H,15H2,(H,27,28)
InChIKeyXRIBQKOWZKPELG-UHFFFAOYSA-N
XLogP4.14
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.85
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N,1-bis(4-chlorophenyl)-4-oxo-2-phenylazetidine-2-carboxamide
CID 4552745
N-[(E)-(4-chlorophenyl)methylideneamino]-2-(2,4-dioxo-5,5-diphenylimidazolidin-1-yl)acetamide
CID 71515235
1,5,5-triphenyl-2-sulfanylideneimidazolidin-4-one
CID 5379256
N-(4-chlorophenyl)-2-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
CID 7179775
2-[(4S)-4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-methyl-N-phenylacetamide
CID 2705880
3-(4-chlorophenyl)-5-methyl-2,2-dioxo-5-phenyloxathiazolidin-4-one
CID 10088465
2-[4-(3-chloro-4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetic acid
CID 43134914
[(2S,3S)-3-anilino-1-(4-chlorophenyl)-4-oxo-2,3-diphenylazetidin-2-yl]-oxosulfanium
CID 10457463
2-[(4S)-4-(3-chloro-4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetic acid
CID 93239430
methyl 2-[3-(6-bromohexyl)-2,5-dioxo-4,4-diphenylimidazolidin-1-yl]acetate
CID 56934962
2-[3-(4-chlorophenyl)-2',4-dioxospiro[1,3-thiazolidine-2,3'-indole]-1'-yl]-N-phenylacetamide
CID 20922333
1-(4-chlorophenyl)-2,2-dimethyl-5-oxopyrrolidine-3-carboxylic acid
CID 117022881

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-chlorophenyl)-2,5-dioxo-4,4-diphenylimidazolidin-1-yl]acetic acid?
The IUPAC name of 2-[3-(4-chlorophenyl)-2,5-dioxo-4,4-diphenylimidazolidin-1-yl]acetic acid (CID 21155109) is 2-[3-(4-chlorophenyl)-2,5-dioxo-4,4-diphenylimidazolidin-1-yl]acetic acid.
What is the SMILES notation for 2-[3-(4-chlorophenyl)-2,5-dioxo-4,4-diphenylimidazolidin-1-yl]acetic acid?
The canonical SMILES for 2-[3-(4-chlorophenyl)-2,5-dioxo-4,4-diphenylimidazolidin-1-yl]acetic acid is O=C(O)CN1C(=O)N(c2ccc(Cl)cc2)C(c2ccccc2)(c2ccccc2)C1=O.
What is the InChIKey of 2-[3-(4-chlorophenyl)-2,5-dioxo-4,4-diphenylimidazolidin-1-yl]acetic acid?
The InChIKey is XRIBQKOWZKPELG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17ClN2O4/c24-18-11-13-19(14-12-18)26-22(30)25(15-20(27)28)21(29)23(26,16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-14H,15H2,(H,27,28).
What are the key properties of 2-[3-(4-chlorophenyl)-2,5-dioxo-4,4-diphenylimidazolidin-1-yl]acetic acid?
2-[3-(4-chlorophenyl)-2,5-dioxo-4,4-diphenylimidazolidin-1-yl]acetic acid has a molecular weight of 420.85 g/mol, XLogP of 4.14, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-chlorophenyl)-2,5-dioxo-4,4-diphenylimidazolidin-1-yl]acetic acid is sourced from PubChem (CID 21155109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).