3-[2-(naphthalen-1-ylmethylsulfanyl)ethyl]imidazolidine-2,4-dione

C16H16N2O2S — CID 134001488

IUPAC3-[2-(naphthalen-1-ylmethylsulfanyl)ethyl]imidazolidine-2,4-dione
SMILESO=C1CNC(=O)N1CCSCc1cccc2ccccc12
InChIInChI=1S/C16H16N2O2S/c19-15-10-17-16(20)18(15)8-9-21-11-13-6-3-5-12-4-1-2-7-14(12)13/h1-7H,8-11H2,(H,17,20)
InChIKeyRTNUAWADOAWVRN-UHFFFAOYSA-N
MW300.38 g/mol
LogP2.62
Rot. Bonds5

About 3-[2-(naphthalen-1-ylmethylsulfanyl)ethyl]imidazolidine-2,4-dione

3-[2-(naphthalen-1-ylmethylsulfanyl)ethyl]imidazolidine-2,4-dione (PubChem CID 134001488) has the molecular formula C16H16N2O2S and a molecular weight of 300.38 g/mol. Its IUPAC name is 3-[2-(naphthalen-1-ylmethylsulfanyl)ethyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[2-(naphthalen-1-ylmethylsulfanyl)ethyl]imidazolidine-2,4-dione
PubChem CID134001488
Molecular FormulaC16H16N2O2S
Molecular Weight300.38 g/mol
Exact Mass300.09
IUPAC Name3-[2-(naphthalen-1-ylmethylsulfanyl)ethyl]imidazolidine-2,4-dione
SMILESO=C1CNC(=O)N1CCSCc1cccc2ccccc12
InChIInChI=1S/C16H16N2O2S/c19-15-10-17-16(20)18(15)8-9-21-11-13-6-3-5-12-4-1-2-7-14(12)13/h1-7H,8-11H2,(H,17,20)
InChIKeyRTNUAWADOAWVRN-UHFFFAOYSA-N
XLogP2.62
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-[2-(naphthalen-1-ylmethylsulfanyl)ethyl]imidazolidine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[2-(naphthalen-1-ylmethylsulfanyl)ethyl]imidazolidine-2,4-dione?
The IUPAC name of 3-[2-(naphthalen-1-ylmethylsulfanyl)ethyl]imidazolidine-2,4-dione (CID 134001488) is 3-[2-(naphthalen-1-ylmethylsulfanyl)ethyl]imidazolidine-2,4-dione.
What is the SMILES notation for 3-[2-(naphthalen-1-ylmethylsulfanyl)ethyl]imidazolidine-2,4-dione?
The canonical SMILES for 3-[2-(naphthalen-1-ylmethylsulfanyl)ethyl]imidazolidine-2,4-dione is O=C1CNC(=O)N1CCSCc1cccc2ccccc12.
What is the InChIKey of 3-[2-(naphthalen-1-ylmethylsulfanyl)ethyl]imidazolidine-2,4-dione?
The InChIKey is RTNUAWADOAWVRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2S/c19-15-10-17-16(20)18(15)8-9-21-11-13-6-3-5-12-4-1-2-7-14(12)13/h1-7H,8-11H2,(H,17,20).
What are the key properties of 3-[2-(naphthalen-1-ylmethylsulfanyl)ethyl]imidazolidine-2,4-dione?
3-[2-(naphthalen-1-ylmethylsulfanyl)ethyl]imidazolidine-2,4-dione has a molecular weight of 300.38 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(naphthalen-1-ylmethylsulfanyl)ethyl]imidazolidine-2,4-dione is sourced from PubChem (CID 134001488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).