1-[2-(2,4-dimethylphenyl)-2-oxoethyl]-3-[(1R,2R)-2-methylcyclohexyl]imidazolidine-2,4,5-trione

C20H24N2O4 — CID 7800200

IUPAC1-[2-(2,4-dimethylphenyl)-2-oxoethyl]-3-[(1R,2R)-2-methylcyclohexyl]imidazolidine-2,4,5-trione
SMILESCc1ccc(C(=O)CN2C(=O)C(=O)N([C@@H]3CCCC[C@H]3C)C2=O)c(C)c1
InChIInChI=1S/C20H24N2O4/c1-12-8-9-15(14(3)10-12)17(23)11-21-18(24)19(25)22(20(21)26)16-7-5-4-6-13(16)2/h8-10,13,16H,4-7,11H2,1-3H3/t13-,16-/m1/s1
InChIKeyMPDRLMPYSCAFDC-CZUORRHYSA-N
MW356.42 g/mol
LogP2.86
Rot. Bonds4

About 1-[2-(2,4-dimethylphenyl)-2-oxoethyl]-3-[(1R,2R)-2-methylcyclohexyl]imidazolidine-2,4,5-trione

1-[2-(2,4-dimethylphenyl)-2-oxoethyl]-3-[(1R,2R)-2-methylcyclohexyl]imidazolidine-2,4,5-trione (PubChem CID 7800200) has the molecular formula C20H24N2O4 and a molecular weight of 356.42 g/mol. Its IUPAC name is 1-[2-(2,4-dimethylphenyl)-2-oxoethyl]-3-[(1R,2R)-2-methylcyclohexyl]imidazolidine-2,4,5-trione.

Molecular Properties

Compound Name1-[2-(2,4-dimethylphenyl)-2-oxoethyl]-3-[(1R,2R)-2-methylcyclohexyl]imidazolidine-2,4,5-trione
PubChem CID7800200
Molecular FormulaC20H24N2O4
Molecular Weight356.42 g/mol
Exact Mass356.17
IUPAC Name1-[2-(2,4-dimethylphenyl)-2-oxoethyl]-3-[(1R,2R)-2-methylcyclohexyl]imidazolidine-2,4,5-trione
SMILESCc1ccc(C(=O)CN2C(=O)C(=O)N([C@@H]3CCCC[C@H]3C)C2=O)c(C)c1
InChIInChI=1S/C20H24N2O4/c1-12-8-9-15(14(3)10-12)17(23)11-21-18(24)19(25)22(20(21)26)16-7-5-4-6-13(16)2/h8-10,13,16H,4-7,11H2,1-3H3/t13-,16-/m1/s1
InChIKeyMPDRLMPYSCAFDC-CZUORRHYSA-N
XLogP2.86
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.42
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,4-dimethylphenyl)-2-oxoethyl]-3-[(1R,2R)-2-methylcyclohexyl]imidazolidine-2,4,5-trione?
The IUPAC name of 1-[2-(2,4-dimethylphenyl)-2-oxoethyl]-3-[(1R,2R)-2-methylcyclohexyl]imidazolidine-2,4,5-trione (CID 7800200) is 1-[2-(2,4-dimethylphenyl)-2-oxoethyl]-3-[(1R,2R)-2-methylcyclohexyl]imidazolidine-2,4,5-trione.
What is the SMILES notation for 1-[2-(2,4-dimethylphenyl)-2-oxoethyl]-3-[(1R,2R)-2-methylcyclohexyl]imidazolidine-2,4,5-trione?
The canonical SMILES for 1-[2-(2,4-dimethylphenyl)-2-oxoethyl]-3-[(1R,2R)-2-methylcyclohexyl]imidazolidine-2,4,5-trione is Cc1ccc(C(=O)CN2C(=O)C(=O)N([C@@H]3CCCC[C@H]3C)C2=O)c(C)c1.
What is the InChIKey of 1-[2-(2,4-dimethylphenyl)-2-oxoethyl]-3-[(1R,2R)-2-methylcyclohexyl]imidazolidine-2,4,5-trione?
The InChIKey is MPDRLMPYSCAFDC-CZUORRHYSA-N. The full InChI is InChI=1S/C20H24N2O4/c1-12-8-9-15(14(3)10-12)17(23)11-21-18(24)19(25)22(20(21)26)16-7-5-4-6-13(16)2/h8-10,13,16H,4-7,11H2,1-3H3/t13-,16-/m1/s1.
What are the key properties of 1-[2-(2,4-dimethylphenyl)-2-oxoethyl]-3-[(1R,2R)-2-methylcyclohexyl]imidazolidine-2,4,5-trione?
1-[2-(2,4-dimethylphenyl)-2-oxoethyl]-3-[(1R,2R)-2-methylcyclohexyl]imidazolidine-2,4,5-trione has a molecular weight of 356.42 g/mol, XLogP of 2.86, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,4-dimethylphenyl)-2-oxoethyl]-3-[(1R,2R)-2-methylcyclohexyl]imidazolidine-2,4,5-trione is sourced from PubChem (CID 7800200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).