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

C16H15N3O2 — CID 110186788

IUPAC5-benzyl-3-(pyridin-2-ylmethyl)imidazolidine-2,4-dione
SMILESO=C1NC(Cc2ccccc2)C(=O)N1Cc1ccccn1
InChIInChI=1S/C16H15N3O2/c20-15-14(10-12-6-2-1-3-7-12)18-16(21)19(15)11-13-8-4-5-9-17-13/h1-9,14H,10-11H2,(H,18,21)
InChIKeyZJIYNLGUJDOGSA-UHFFFAOYSA-N
MW281.31 g/mol
LogP1.74
Rot. Bonds4

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

5-benzyl-3-(pyridin-2-ylmethyl)imidazolidine-2,4-dione (PubChem CID 110186788) has the molecular formula C16H15N3O2 and a molecular weight of 281.31 g/mol. Its IUPAC name is 5-benzyl-3-(pyridin-2-ylmethyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-benzyl-3-(pyridin-2-ylmethyl)imidazolidine-2,4-dione
PubChem CID110186788
Molecular FormulaC16H15N3O2
Molecular Weight281.31 g/mol
Exact Mass281.12
IUPAC Name5-benzyl-3-(pyridin-2-ylmethyl)imidazolidine-2,4-dione
SMILESO=C1NC(Cc2ccccc2)C(=O)N1Cc1ccccn1
InChIInChI=1S/C16H15N3O2/c20-15-14(10-12-6-2-1-3-7-12)18-16(21)19(15)11-13-8-4-5-9-17-13/h1-9,14H,10-11H2,(H,18,21)
InChIKeyZJIYNLGUJDOGSA-UHFFFAOYSA-N
XLogP1.74
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(5R)-5-benzyl-3-[(6-propan-2-yl-2-pyridinyl)methyl]imidazolidine-2,4-dione
CID 97251601
(5R)-5-benzyl-3-[(5-fluoroquinolin-8-yl)methyl]imidazolidine-2,4-dione
CID 94782021
(5S)-5-benzyl-3-(furan-2-ylmethyl)imidazolidine-2,4-dione
CID 11196501
3-benzyl-5-[3-oxo-3-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]propyl]imidazolidine-2,4-dione
CID 91822559
(5S)-5-benzyl-3-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]imidazolidine-2,4-dione
CID 51531205
3-benzyl-5-(naphthalen-2-ylmethyl)imidazolidine-2,4-dione
CID 16660602
5-benzyl-3-[(2,4-dichlorophenyl)methyl]imidazolidine-2,4-dione
CID 112774880
methyl 4-[(4-benzyl-2,5-dioxoimidazolidin-1-yl)methyl]benzoate
CID 4601141
2-[(4S)-1-[(3-fluorophenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(pyridin-2-ylmethyl)acetamide
CID 91640015
(5R)-5-benzyl-3-(morpholin-4-ylmethyl)imidazolidine-2,4-dione
CID 31263332
5-[[(4S)-4-benzyl-2,5-dioxoimidazolidin-1-yl]methyl]-2-methoxybenzonitrile
CID 99697015
(5R)-5-benzyl-3-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]imidazolidine-2,4-dione
CID 2102294

Frequently Asked Questions

What is the IUPAC name of 5-benzyl-3-(pyridin-2-ylmethyl)imidazolidine-2,4-dione?
The IUPAC name of 5-benzyl-3-(pyridin-2-ylmethyl)imidazolidine-2,4-dione (CID 110186788) is 5-benzyl-3-(pyridin-2-ylmethyl)imidazolidine-2,4-dione.
What is the SMILES notation for 5-benzyl-3-(pyridin-2-ylmethyl)imidazolidine-2,4-dione?
The canonical SMILES for 5-benzyl-3-(pyridin-2-ylmethyl)imidazolidine-2,4-dione is O=C1NC(Cc2ccccc2)C(=O)N1Cc1ccccn1.
What is the InChIKey of 5-benzyl-3-(pyridin-2-ylmethyl)imidazolidine-2,4-dione?
The InChIKey is ZJIYNLGUJDOGSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2/c20-15-14(10-12-6-2-1-3-7-12)18-16(21)19(15)11-13-8-4-5-9-17-13/h1-9,14H,10-11H2,(H,18,21).
What are the key properties of 5-benzyl-3-(pyridin-2-ylmethyl)imidazolidine-2,4-dione?
5-benzyl-3-(pyridin-2-ylmethyl)imidazolidine-2,4-dione has a molecular weight of 281.31 g/mol, XLogP of 1.74, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-3-(pyridin-2-ylmethyl)imidazolidine-2,4-dione is sourced from PubChem (CID 110186788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).