5-methyl-5-[1-(4-methyl-5-naphthalen-2-yl-1,2,4-triazol-3-yl)piperidin-4-yl]imidazolidine-2,4-dione

C22H24N6O2 — CID 154861426

IUPAC5-methyl-5-[1-(4-methyl-5-naphthalen-2-yl-1,2,4-triazol-3-yl)piperidin-4-yl]imidazolidine-2,4-dione
SMILESCn1c(-c2ccc3ccccc3c2)nnc1N1CCC(C2(C)NC(=O)NC2=O)CC1
InChIInChI=1S/C22H24N6O2/c1-22(19(29)23-20(30)24-22)17-9-11-28(12-10-17)21-26-25-18(27(21)2)16-8-7-14-5-3-4-6-15(14)13-16/h3-8,13,17H,9-12H2,1-2H3,(H2,23,24,29,30)
InChIKeyJQAKRJNEXBBYKT-UHFFFAOYSA-N
MW404.47 g/mol
LogP2.45
Rot. Bonds3

About 5-methyl-5-[1-(4-methyl-5-naphthalen-2-yl-1,2,4-triazol-3-yl)piperidin-4-yl]imidazolidine-2,4-dione

5-methyl-5-[1-(4-methyl-5-naphthalen-2-yl-1,2,4-triazol-3-yl)piperidin-4-yl]imidazolidine-2,4-dione (PubChem CID 154861426) has the molecular formula C22H24N6O2 and a molecular weight of 404.47 g/mol. Its IUPAC name is 5-methyl-5-[1-(4-methyl-5-naphthalen-2-yl-1,2,4-triazol-3-yl)piperidin-4-yl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-methyl-5-[1-(4-methyl-5-naphthalen-2-yl-1,2,4-triazol-3-yl)piperidin-4-yl]imidazolidine-2,4-dione
PubChem CID154861426
Molecular FormulaC22H24N6O2
Molecular Weight404.47 g/mol
Exact Mass404.20
IUPAC Name5-methyl-5-[1-(4-methyl-5-naphthalen-2-yl-1,2,4-triazol-3-yl)piperidin-4-yl]imidazolidine-2,4-dione
SMILESCn1c(-c2ccc3ccccc3c2)nnc1N1CCC(C2(C)NC(=O)NC2=O)CC1
InChIInChI=1S/C22H24N6O2/c1-22(19(29)23-20(30)24-22)17-9-11-28(12-10-17)21-26-25-18(27(21)2)16-8-7-14-5-3-4-6-15(14)13-16/h3-8,13,17H,9-12H2,1-2H3,(H2,23,24,29,30)
InChIKeyJQAKRJNEXBBYKT-UHFFFAOYSA-N
XLogP2.45
TPSA92.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-5-[1-(4-methyl-5-naphthalen-2-yl-1,2,4-triazol-3-yl)piperidin-4-yl]imidazolidine-2,4-dione?
The IUPAC name of 5-methyl-5-[1-(4-methyl-5-naphthalen-2-yl-1,2,4-triazol-3-yl)piperidin-4-yl]imidazolidine-2,4-dione (CID 154861426) is 5-methyl-5-[1-(4-methyl-5-naphthalen-2-yl-1,2,4-triazol-3-yl)piperidin-4-yl]imidazolidine-2,4-dione.
What is the SMILES notation for 5-methyl-5-[1-(4-methyl-5-naphthalen-2-yl-1,2,4-triazol-3-yl)piperidin-4-yl]imidazolidine-2,4-dione?
The canonical SMILES for 5-methyl-5-[1-(4-methyl-5-naphthalen-2-yl-1,2,4-triazol-3-yl)piperidin-4-yl]imidazolidine-2,4-dione is Cn1c(-c2ccc3ccccc3c2)nnc1N1CCC(C2(C)NC(=O)NC2=O)CC1.
What is the InChIKey of 5-methyl-5-[1-(4-methyl-5-naphthalen-2-yl-1,2,4-triazol-3-yl)piperidin-4-yl]imidazolidine-2,4-dione?
The InChIKey is JQAKRJNEXBBYKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N6O2/c1-22(19(29)23-20(30)24-22)17-9-11-28(12-10-17)21-26-25-18(27(21)2)16-8-7-14-5-3-4-6-15(14)13-16/h3-8,13,17H,9-12H2,1-2H3,(H2,23,24,29,30).
What are the key properties of 5-methyl-5-[1-(4-methyl-5-naphthalen-2-yl-1,2,4-triazol-3-yl)piperidin-4-yl]imidazolidine-2,4-dione?
5-methyl-5-[1-(4-methyl-5-naphthalen-2-yl-1,2,4-triazol-3-yl)piperidin-4-yl]imidazolidine-2,4-dione has a molecular weight of 404.47 g/mol, XLogP of 2.45, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-5-[1-(4-methyl-5-naphthalen-2-yl-1,2,4-triazol-3-yl)piperidin-4-yl]imidazolidine-2,4-dione is sourced from PubChem (CID 154861426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).