3-[2-(1-benzyl-4,5-diphenylimidazol-2-yl)sulfanylethyl]imidazolidine-2,4-dione

C27H24N4O2S — CID 38864746

IUPAC3-[2-(1-benzyl-4,5-diphenylimidazol-2-yl)sulfanylethyl]imidazolidine-2,4-dione
SMILESO=C1CNC(=O)N1CCSc1nc(-c2ccccc2)c(-c2ccccc2)n1Cc1ccccc1
InChIInChI=1S/C27H24N4O2S/c32-23-18-28-26(33)30(23)16-17-34-27-29-24(21-12-6-2-7-13-21)25(22-14-8-3-9-15-22)31(27)19-20-10-4-1-5-11-20/h1-15H,16-19H2,(H,28,33)
InChIKeyRYFHUVUEIPBQEZ-UHFFFAOYSA-N
MW468.58 g/mol
LogP4.91
Rot. Bonds8

About 3-[2-(1-benzyl-4,5-diphenylimidazol-2-yl)sulfanylethyl]imidazolidine-2,4-dione

3-[2-(1-benzyl-4,5-diphenylimidazol-2-yl)sulfanylethyl]imidazolidine-2,4-dione (PubChem CID 38864746) has the molecular formula C27H24N4O2S and a molecular weight of 468.58 g/mol. Its IUPAC name is 3-[2-(1-benzyl-4,5-diphenylimidazol-2-yl)sulfanylethyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[2-(1-benzyl-4,5-diphenylimidazol-2-yl)sulfanylethyl]imidazolidine-2,4-dione
PubChem CID38864746
Molecular FormulaC27H24N4O2S
Molecular Weight468.58 g/mol
Exact Mass468.16
IUPAC Name3-[2-(1-benzyl-4,5-diphenylimidazol-2-yl)sulfanylethyl]imidazolidine-2,4-dione
SMILESO=C1CNC(=O)N1CCSc1nc(-c2ccccc2)c(-c2ccccc2)n1Cc1ccccc1
InChIInChI=1S/C27H24N4O2S/c32-23-18-28-26(33)30(23)16-17-34-27-29-24(21-12-6-2-7-13-21)25(22-14-8-3-9-15-22)31(27)19-20-10-4-1-5-11-20/h1-15H,16-19H2,(H,28,33)
InChIKeyRYFHUVUEIPBQEZ-UHFFFAOYSA-N
XLogP4.91
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.58
LogP ≤ 54.91
H-Bond Donors ≤ 51
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 3-[2-(1-benzyl-4,5-diphenylimidazol-2-yl)sulfanylethyl]imidazolidine-2,4-dione?
The IUPAC name of 3-[2-(1-benzyl-4,5-diphenylimidazol-2-yl)sulfanylethyl]imidazolidine-2,4-dione (CID 38864746) is 3-[2-(1-benzyl-4,5-diphenylimidazol-2-yl)sulfanylethyl]imidazolidine-2,4-dione.
What is the SMILES notation for 3-[2-(1-benzyl-4,5-diphenylimidazol-2-yl)sulfanylethyl]imidazolidine-2,4-dione?
The canonical SMILES for 3-[2-(1-benzyl-4,5-diphenylimidazol-2-yl)sulfanylethyl]imidazolidine-2,4-dione is O=C1CNC(=O)N1CCSc1nc(-c2ccccc2)c(-c2ccccc2)n1Cc1ccccc1.
What is the InChIKey of 3-[2-(1-benzyl-4,5-diphenylimidazol-2-yl)sulfanylethyl]imidazolidine-2,4-dione?
The InChIKey is RYFHUVUEIPBQEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N4O2S/c32-23-18-28-26(33)30(23)16-17-34-27-29-24(21-12-6-2-7-13-21)25(22-14-8-3-9-15-22)31(27)19-20-10-4-1-5-11-20/h1-15H,16-19H2,(H,28,33).
What are the key properties of 3-[2-(1-benzyl-4,5-diphenylimidazol-2-yl)sulfanylethyl]imidazolidine-2,4-dione?
3-[2-(1-benzyl-4,5-diphenylimidazol-2-yl)sulfanylethyl]imidazolidine-2,4-dione has a molecular weight of 468.58 g/mol, XLogP of 4.91, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(1-benzyl-4,5-diphenylimidazol-2-yl)sulfanylethyl]imidazolidine-2,4-dione is sourced from PubChem (CID 38864746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).