3-(2-chloroacetyl)-5-methyl-5-phenylimidazolidine-2,4-dione

C12H11ClN2O3 — CID 4277145

IUPAC3-(2-chloroacetyl)-5-methyl-5-phenylimidazolidine-2,4-dione
SMILESCC1(c2ccccc2)NC(=O)N(C(=O)CCl)C1=O
InChIInChI=1S/C12H11ClN2O3/c1-12(8-5-3-2-4-6-8)10(17)15(9(16)7-13)11(18)14-12/h2-6H,7H2,1H3,(H,14,18)
InChIKeyGRCIXMIUSYVHAK-UHFFFAOYSA-N
MW266.68 g/mol
LogP1.22
Rot. Bonds2

About 3-(2-chloroacetyl)-5-methyl-5-phenylimidazolidine-2,4-dione

3-(2-chloroacetyl)-5-methyl-5-phenylimidazolidine-2,4-dione (PubChem CID 4277145) has the molecular formula C12H11ClN2O3 and a molecular weight of 266.68 g/mol. Its IUPAC name is 3-(2-chloroacetyl)-5-methyl-5-phenylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-(2-chloroacetyl)-5-methyl-5-phenylimidazolidine-2,4-dione
PubChem CID4277145
Molecular FormulaC12H11ClN2O3
Molecular Weight266.68 g/mol
Exact Mass266.05
IUPAC Name3-(2-chloroacetyl)-5-methyl-5-phenylimidazolidine-2,4-dione
SMILESCC1(c2ccccc2)NC(=O)N(C(=O)CCl)C1=O
InChIInChI=1S/C12H11ClN2O3/c1-12(8-5-3-2-4-6-8)10(17)15(9(16)7-13)11(18)14-12/h2-6H,7H2,1H3,(H,14,18)
InChIKeyGRCIXMIUSYVHAK-UHFFFAOYSA-N
XLogP1.22
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.68
LogP ≤ 51.22
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'}

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Related Compounds

N-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)propanamide
CID 47099545
5-methyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)-5-phenylimidazolidine-2,4-dione
CID 3874337
3-bromo-5-methyl-5-phenylimidazolidine-2,4-dione
CID 4609446
4-[(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)methyl]benzamide
CID 17410105
methyl 4-[[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]methyl]benzoate
CID 7242335
6-[(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)amino]-6-oxohexanoic acid
CID 167859701
N,N-diethyl-2-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
CID 2575034
N-methyl-2-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-phenylacetamide
CID 2580426
N-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-3,3-diphenylpropanamide
CID 84861647
3-[(2,6-dichlorophenyl)methyl]-5-methyl-5-phenylimidazolidine-2,4-dione
CID 3887433
(5R)-3-[(2-chlorophenyl)methyl]-5-methyl-5-phenylimidazolidine-2,4-dione
CID 2580419
5-methyl-5-phenyl-3-(2,2,2-trifluoroethyl)imidazolidine-2,4-dione
CID 59370424

Frequently Asked Questions

What is the IUPAC name of 3-(2-chloroacetyl)-5-methyl-5-phenylimidazolidine-2,4-dione?
The IUPAC name of 3-(2-chloroacetyl)-5-methyl-5-phenylimidazolidine-2,4-dione (CID 4277145) is 3-(2-chloroacetyl)-5-methyl-5-phenylimidazolidine-2,4-dione.
What is the SMILES notation for 3-(2-chloroacetyl)-5-methyl-5-phenylimidazolidine-2,4-dione?
The canonical SMILES for 3-(2-chloroacetyl)-5-methyl-5-phenylimidazolidine-2,4-dione is CC1(c2ccccc2)NC(=O)N(C(=O)CCl)C1=O.
What is the InChIKey of 3-(2-chloroacetyl)-5-methyl-5-phenylimidazolidine-2,4-dione?
The InChIKey is GRCIXMIUSYVHAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2O3/c1-12(8-5-3-2-4-6-8)10(17)15(9(16)7-13)11(18)14-12/h2-6H,7H2,1H3,(H,14,18).
What are the key properties of 3-(2-chloroacetyl)-5-methyl-5-phenylimidazolidine-2,4-dione?
3-(2-chloroacetyl)-5-methyl-5-phenylimidazolidine-2,4-dione has a molecular weight of 266.68 g/mol, XLogP of 1.22, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloroacetyl)-5-methyl-5-phenylimidazolidine-2,4-dione is sourced from PubChem (CID 4277145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).