5-benzyl-5-[1-[(2-phenyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]imidazolidine-2,4-dione

C25H26N4O2S — CID 45251029

IUPAC5-benzyl-5-[1-[(2-phenyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]imidazolidine-2,4-dione
SMILESO=C1NC(=O)C(Cc2ccccc2)(C2CCN(Cc3cnc(-c4ccccc4)s3)CC2)N1
InChIInChI=1S/C25H26N4O2S/c30-23-25(28-24(31)27-23,15-18-7-3-1-4-8-18)20-11-13-29(14-12-20)17-21-16-26-22(32-21)19-9-5-2-6-10-19/h1-10,16,20H,11-15,17H2,(H2,27,28,30,31)
InChIKeyACXGOCMOOGGAPQ-UHFFFAOYSA-N
MW446.58 g/mol
LogP3.84
Rot. Bonds6

About 5-benzyl-5-[1-[(2-phenyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]imidazolidine-2,4-dione

5-benzyl-5-[1-[(2-phenyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]imidazolidine-2,4-dione (PubChem CID 45251029) has the molecular formula C25H26N4O2S and a molecular weight of 446.58 g/mol. Its IUPAC name is 5-benzyl-5-[1-[(2-phenyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-benzyl-5-[1-[(2-phenyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]imidazolidine-2,4-dione
PubChem CID45251029
Molecular FormulaC25H26N4O2S
Molecular Weight446.58 g/mol
Exact Mass446.18
IUPAC Name5-benzyl-5-[1-[(2-phenyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]imidazolidine-2,4-dione
SMILESO=C1NC(=O)C(Cc2ccccc2)(C2CCN(Cc3cnc(-c4ccccc4)s3)CC2)N1
InChIInChI=1S/C25H26N4O2S/c30-23-25(28-24(31)27-23,15-18-7-3-1-4-8-18)20-11-13-29(14-12-20)17-21-16-26-22(32-21)19-9-5-2-6-10-19/h1-10,16,20H,11-15,17H2,(H2,27,28,30,31)
InChIKeyACXGOCMOOGGAPQ-UHFFFAOYSA-N
XLogP3.84
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.58
LogP ≤ 53.84
H-Bond Donors ≤ 52
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 5-benzyl-5-[1-[(2-phenyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]imidazolidine-2,4-dione?
The IUPAC name of 5-benzyl-5-[1-[(2-phenyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]imidazolidine-2,4-dione (CID 45251029) is 5-benzyl-5-[1-[(2-phenyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]imidazolidine-2,4-dione.
What is the SMILES notation for 5-benzyl-5-[1-[(2-phenyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]imidazolidine-2,4-dione?
The canonical SMILES for 5-benzyl-5-[1-[(2-phenyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]imidazolidine-2,4-dione is O=C1NC(=O)C(Cc2ccccc2)(C2CCN(Cc3cnc(-c4ccccc4)s3)CC2)N1.
What is the InChIKey of 5-benzyl-5-[1-[(2-phenyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]imidazolidine-2,4-dione?
The InChIKey is ACXGOCMOOGGAPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O2S/c30-23-25(28-24(31)27-23,15-18-7-3-1-4-8-18)20-11-13-29(14-12-20)17-21-16-26-22(32-21)19-9-5-2-6-10-19/h1-10,16,20H,11-15,17H2,(H2,27,28,30,31).
What are the key properties of 5-benzyl-5-[1-[(2-phenyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]imidazolidine-2,4-dione?
5-benzyl-5-[1-[(2-phenyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]imidazolidine-2,4-dione has a molecular weight of 446.58 g/mol, XLogP of 3.84, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-5-[1-[(2-phenyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]imidazolidine-2,4-dione is sourced from PubChem (CID 45251029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).