5-methyl-3-[4-(2-methylimidazol-1-yl)butyl]-5-(4-methylsulfonylphenyl)imidazolidine-2,4-dione

C19H24N4O4S — CID 75431270

IUPAC5-methyl-3-[4-(2-methylimidazol-1-yl)butyl]-5-(4-methylsulfonylphenyl)imidazolidine-2,4-dione
SMILESCc1nccn1CCCCN1C(=O)NC(C)(c2ccc(S(C)(=O)=O)cc2)C1=O
InChIInChI=1S/C19H24N4O4S/c1-14-20-10-13-22(14)11-4-5-12-23-17(24)19(2,21-18(23)25)15-6-8-16(9-7-15)28(3,26)27/h6-10,13H,4-5,11-12H2,1-3H3,(H,21,25)
InChIKeyABNOTLCGJCKOEC-UHFFFAOYSA-N
MW404.49 g/mol
LogP1.84
Rot. Bonds7

About 5-methyl-3-[4-(2-methylimidazol-1-yl)butyl]-5-(4-methylsulfonylphenyl)imidazolidine-2,4-dione

5-methyl-3-[4-(2-methylimidazol-1-yl)butyl]-5-(4-methylsulfonylphenyl)imidazolidine-2,4-dione (PubChem CID 75431270) has the molecular formula C19H24N4O4S and a molecular weight of 404.49 g/mol. Its IUPAC name is 5-methyl-3-[4-(2-methylimidazol-1-yl)butyl]-5-(4-methylsulfonylphenyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-methyl-3-[4-(2-methylimidazol-1-yl)butyl]-5-(4-methylsulfonylphenyl)imidazolidine-2,4-dione
PubChem CID75431270
Molecular FormulaC19H24N4O4S
Molecular Weight404.49 g/mol
Exact Mass404.15
IUPAC Name5-methyl-3-[4-(2-methylimidazol-1-yl)butyl]-5-(4-methylsulfonylphenyl)imidazolidine-2,4-dione
SMILESCc1nccn1CCCCN1C(=O)NC(C)(c2ccc(S(C)(=O)=O)cc2)C1=O
InChIInChI=1S/C19H24N4O4S/c1-14-20-10-13-22(14)11-4-5-12-23-17(24)19(2,21-18(23)25)15-6-8-16(9-7-15)28(3,26)27/h6-10,13H,4-5,11-12H2,1-3H3,(H,21,25)
InChIKeyABNOTLCGJCKOEC-UHFFFAOYSA-N
XLogP1.84
TPSA101.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.49
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-[2-(2,6-dimethylphenoxy)ethyl]-5-methyl-5-(4-methylsulfonylphenyl)imidazolidine-2,4-dione
CID 51117079
5-(2,4-dimethylphenyl)-5-methyl-3-[3-(2-methylimidazol-1-yl)propyl]imidazolidine-2,4-dione
CID 84593571
3-[2-(4-fluorophenoxy)ethyl]-5-methyl-5-(4-methylsulfonylphenyl)imidazolidine-2,4-dione
CID 56684439
3-[2-(2-methylimidazol-1-yl)ethyl]-5,5-diphenylimidazolidine-2,4-dione
CID 75399916
2-[4-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]butyl]isoindole-1,3-dione
CID 18266875
3-methyl-1-[4-(2-methylimidazol-1-yl)butyl]-3-propan-2-ylpyrrolidine-2,5-dione
CID 75484140
2-[(4S)-4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-methylsulfonylphenyl)acetamide
CID 40811632
2-methyl-1-(3-methylsulfonylpropyl)imidazole
CID 63239256
3,3-dimethyl-1-[2-(2-methylimidazol-1-yl)ethyl]piperazine-2,5-dione
CID 64879598
N-methyl-1-[2-[4-methyl-4-(4-methylsulfonylphenyl)-2,5-dioxoimidazolidin-1-yl]acetyl]piperidine-4-carboxamide
CID 75479437
(5R)-3-[3-(4-methoxyphenoxy)propyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione
CID 38853269
4-(2-methylimidazol-1-yl)butane-1-sulfonic acid
CID 71342023

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-[4-(2-methylimidazol-1-yl)butyl]-5-(4-methylsulfonylphenyl)imidazolidine-2,4-dione?
The IUPAC name of 5-methyl-3-[4-(2-methylimidazol-1-yl)butyl]-5-(4-methylsulfonylphenyl)imidazolidine-2,4-dione (CID 75431270) is 5-methyl-3-[4-(2-methylimidazol-1-yl)butyl]-5-(4-methylsulfonylphenyl)imidazolidine-2,4-dione.
What is the SMILES notation for 5-methyl-3-[4-(2-methylimidazol-1-yl)butyl]-5-(4-methylsulfonylphenyl)imidazolidine-2,4-dione?
The canonical SMILES for 5-methyl-3-[4-(2-methylimidazol-1-yl)butyl]-5-(4-methylsulfonylphenyl)imidazolidine-2,4-dione is Cc1nccn1CCCCN1C(=O)NC(C)(c2ccc(S(C)(=O)=O)cc2)C1=O.
What is the InChIKey of 5-methyl-3-[4-(2-methylimidazol-1-yl)butyl]-5-(4-methylsulfonylphenyl)imidazolidine-2,4-dione?
The InChIKey is ABNOTLCGJCKOEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O4S/c1-14-20-10-13-22(14)11-4-5-12-23-17(24)19(2,21-18(23)25)15-6-8-16(9-7-15)28(3,26)27/h6-10,13H,4-5,11-12H2,1-3H3,(H,21,25).
What are the key properties of 5-methyl-3-[4-(2-methylimidazol-1-yl)butyl]-5-(4-methylsulfonylphenyl)imidazolidine-2,4-dione?
5-methyl-3-[4-(2-methylimidazol-1-yl)butyl]-5-(4-methylsulfonylphenyl)imidazolidine-2,4-dione has a molecular weight of 404.49 g/mol, XLogP of 1.84, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-[4-(2-methylimidazol-1-yl)butyl]-5-(4-methylsulfonylphenyl)imidazolidine-2,4-dione is sourced from PubChem (CID 75431270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).