3-[2-(2,5-dimethoxyphenyl)-2-oxoethyl]-5-methyl-5-phenylimidazolidine-2,4-dione

C20H20N2O5 — CID 2997913

IUPAC3-[2-(2,5-dimethoxyphenyl)-2-oxoethyl]-5-methyl-5-phenylimidazolidine-2,4-dione
SMILESCOc1ccc(OC)c(C(=O)CN2C(=O)NC(C)(c3ccccc3)C2=O)c1
InChIInChI=1S/C20H20N2O5/c1-20(13-7-5-4-6-8-13)18(24)22(19(25)21-20)12-16(23)15-11-14(26-2)9-10-17(15)27-3/h4-11H,12H2,1-3H3,(H,21,25)
InChIKeyKDJIJHUONWGRHV-UHFFFAOYSA-N
MW368.39 g/mol
LogP2.35
Rot. Bonds6

About 3-[2-(2,5-dimethoxyphenyl)-2-oxoethyl]-5-methyl-5-phenylimidazolidine-2,4-dione

3-[2-(2,5-dimethoxyphenyl)-2-oxoethyl]-5-methyl-5-phenylimidazolidine-2,4-dione (PubChem CID 2997913) has the molecular formula C20H20N2O5 and a molecular weight of 368.39 g/mol. Its IUPAC name is 3-[2-(2,5-dimethoxyphenyl)-2-oxoethyl]-5-methyl-5-phenylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[2-(2,5-dimethoxyphenyl)-2-oxoethyl]-5-methyl-5-phenylimidazolidine-2,4-dione
PubChem CID2997913
Molecular FormulaC20H20N2O5
Molecular Weight368.39 g/mol
Exact Mass368.14
IUPAC Name3-[2-(2,5-dimethoxyphenyl)-2-oxoethyl]-5-methyl-5-phenylimidazolidine-2,4-dione
SMILESCOc1ccc(OC)c(C(=O)CN2C(=O)NC(C)(c3ccccc3)C2=O)c1
InChIInChI=1S/C20H20N2O5/c1-20(13-7-5-4-6-8-13)18(24)22(19(25)21-20)12-16(23)15-11-14(26-2)9-10-17(15)27-3/h4-11H,12H2,1-3H3,(H,21,25)
InChIKeyKDJIJHUONWGRHV-UHFFFAOYSA-N
XLogP2.35
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.39
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(2,5-dimethoxyphenyl)-2-oxoethyl]-5-methyl-5-phenylimidazolidine-2,4-dione?
The IUPAC name of 3-[2-(2,5-dimethoxyphenyl)-2-oxoethyl]-5-methyl-5-phenylimidazolidine-2,4-dione (CID 2997913) is 3-[2-(2,5-dimethoxyphenyl)-2-oxoethyl]-5-methyl-5-phenylimidazolidine-2,4-dione.
What is the SMILES notation for 3-[2-(2,5-dimethoxyphenyl)-2-oxoethyl]-5-methyl-5-phenylimidazolidine-2,4-dione?
The canonical SMILES for 3-[2-(2,5-dimethoxyphenyl)-2-oxoethyl]-5-methyl-5-phenylimidazolidine-2,4-dione is COc1ccc(OC)c(C(=O)CN2C(=O)NC(C)(c3ccccc3)C2=O)c1.
What is the InChIKey of 3-[2-(2,5-dimethoxyphenyl)-2-oxoethyl]-5-methyl-5-phenylimidazolidine-2,4-dione?
The InChIKey is KDJIJHUONWGRHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O5/c1-20(13-7-5-4-6-8-13)18(24)22(19(25)21-20)12-16(23)15-11-14(26-2)9-10-17(15)27-3/h4-11H,12H2,1-3H3,(H,21,25).
What are the key properties of 3-[2-(2,5-dimethoxyphenyl)-2-oxoethyl]-5-methyl-5-phenylimidazolidine-2,4-dione?
3-[2-(2,5-dimethoxyphenyl)-2-oxoethyl]-5-methyl-5-phenylimidazolidine-2,4-dione has a molecular weight of 368.39 g/mol, XLogP of 2.35, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2,5-dimethoxyphenyl)-2-oxoethyl]-5-methyl-5-phenylimidazolidine-2,4-dione is sourced from PubChem (CID 2997913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).