5-benzyl-5-piperidin-4-yl-3-(pyridin-4-ylmethyl)imidazolidine-2,4-dione

C21H24N4O2 — CID 56710132

IUPAC5-benzyl-5-piperidin-4-yl-3-(pyridin-4-ylmethyl)imidazolidine-2,4-dione
SMILESO=C1NC(Cc2ccccc2)(C2CCNCC2)C(=O)N1Cc1ccncc1
InChIInChI=1S/C21H24N4O2/c26-19-21(18-8-12-23-13-9-18,14-16-4-2-1-3-5-16)24-20(27)25(19)15-17-6-10-22-11-7-17/h1-7,10-11,18,23H,8-9,12-15H2,(H,24,27)
InChIKeyDLLSBOPFDTXBRQ-UHFFFAOYSA-N
MW364.45 g/mol
LogP2.11
Rot. Bonds5

About 5-benzyl-5-piperidin-4-yl-3-(pyridin-4-ylmethyl)imidazolidine-2,4-dione

5-benzyl-5-piperidin-4-yl-3-(pyridin-4-ylmethyl)imidazolidine-2,4-dione (PubChem CID 56710132) has the molecular formula C21H24N4O2 and a molecular weight of 364.45 g/mol. Its IUPAC name is 5-benzyl-5-piperidin-4-yl-3-(pyridin-4-ylmethyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-benzyl-5-piperidin-4-yl-3-(pyridin-4-ylmethyl)imidazolidine-2,4-dione
PubChem CID56710132
Molecular FormulaC21H24N4O2
Molecular Weight364.45 g/mol
Exact Mass364.19
IUPAC Name5-benzyl-5-piperidin-4-yl-3-(pyridin-4-ylmethyl)imidazolidine-2,4-dione
SMILESO=C1NC(Cc2ccccc2)(C2CCNCC2)C(=O)N1Cc1ccncc1
InChIInChI=1S/C21H24N4O2/c26-19-21(18-8-12-23-13-9-18,14-16-4-2-1-3-5-16)24-20(27)25(19)15-17-6-10-22-11-7-17/h1-7,10-11,18,23H,8-9,12-15H2,(H,24,27)
InChIKeyDLLSBOPFDTXBRQ-UHFFFAOYSA-N
XLogP2.11
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-benzyl-5-piperidin-4-yl-3-(pyridin-4-ylmethyl)imidazolidine-2,4-dione?
The IUPAC name of 5-benzyl-5-piperidin-4-yl-3-(pyridin-4-ylmethyl)imidazolidine-2,4-dione (CID 56710132) is 5-benzyl-5-piperidin-4-yl-3-(pyridin-4-ylmethyl)imidazolidine-2,4-dione.
What is the SMILES notation for 5-benzyl-5-piperidin-4-yl-3-(pyridin-4-ylmethyl)imidazolidine-2,4-dione?
The canonical SMILES for 5-benzyl-5-piperidin-4-yl-3-(pyridin-4-ylmethyl)imidazolidine-2,4-dione is O=C1NC(Cc2ccccc2)(C2CCNCC2)C(=O)N1Cc1ccncc1.
What is the InChIKey of 5-benzyl-5-piperidin-4-yl-3-(pyridin-4-ylmethyl)imidazolidine-2,4-dione?
The InChIKey is DLLSBOPFDTXBRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2/c26-19-21(18-8-12-23-13-9-18,14-16-4-2-1-3-5-16)24-20(27)25(19)15-17-6-10-22-11-7-17/h1-7,10-11,18,23H,8-9,12-15H2,(H,24,27).
What are the key properties of 5-benzyl-5-piperidin-4-yl-3-(pyridin-4-ylmethyl)imidazolidine-2,4-dione?
5-benzyl-5-piperidin-4-yl-3-(pyridin-4-ylmethyl)imidazolidine-2,4-dione has a molecular weight of 364.45 g/mol, XLogP of 2.11, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-5-piperidin-4-yl-3-(pyridin-4-ylmethyl)imidazolidine-2,4-dione is sourced from PubChem (CID 56710132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).