3-[4-(4-chlorophenyl)sulfanylbutyl]-5,5-dimethylimidazolidine-2,4-dione

C15H19ClN2O2S — CID 2215920

IUPAC3-[4-(4-chlorophenyl)sulfanylbutyl]-5,5-dimethylimidazolidine-2,4-dione
SMILESCC1(C)NC(=O)N(CCCCSc2ccc(Cl)cc2)C1=O
InChIInChI=1S/C15H19ClN2O2S/c1-15(2)13(19)18(14(20)17-15)9-3-4-10-21-12-7-5-11(16)6-8-12/h5-8H,3-4,9-10H2,1-2H3,(H,17,20)
InChIKeyNZRDPGZJCGVICL-UHFFFAOYSA-N
MW326.85 g/mol
LogP3.54
Rot. Bonds6

About 3-[4-(4-chlorophenyl)sulfanylbutyl]-5,5-dimethylimidazolidine-2,4-dione

3-[4-(4-chlorophenyl)sulfanylbutyl]-5,5-dimethylimidazolidine-2,4-dione (PubChem CID 2215920) has the molecular formula C15H19ClN2O2S and a molecular weight of 326.85 g/mol. Its IUPAC name is 3-[4-(4-chlorophenyl)sulfanylbutyl]-5,5-dimethylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[4-(4-chlorophenyl)sulfanylbutyl]-5,5-dimethylimidazolidine-2,4-dione
PubChem CID2215920
Molecular FormulaC15H19ClN2O2S
Molecular Weight326.85 g/mol
Exact Mass326.09
IUPAC Name3-[4-(4-chlorophenyl)sulfanylbutyl]-5,5-dimethylimidazolidine-2,4-dione
SMILESCC1(C)NC(=O)N(CCCCSc2ccc(Cl)cc2)C1=O
InChIInChI=1S/C15H19ClN2O2S/c1-15(2)13(19)18(14(20)17-15)9-3-4-10-21-12-7-5-11(16)6-8-12/h5-8H,3-4,9-10H2,1-2H3,(H,17,20)
InChIKeyNZRDPGZJCGVICL-UHFFFAOYSA-N
XLogP3.54
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.85
LogP ≤ 53.54
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-[4-(4-chlorophenyl)sulfanylbutyl]-5,5-dimethylimidazolidine-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-[4-(4-chlorophenyl)sulfanylbutyl]-5,5-dimethylimidazolidine-2,4-dione?
The IUPAC name of 3-[4-(4-chlorophenyl)sulfanylbutyl]-5,5-dimethylimidazolidine-2,4-dione (CID 2215920) is 3-[4-(4-chlorophenyl)sulfanylbutyl]-5,5-dimethylimidazolidine-2,4-dione.
What is the SMILES notation for 3-[4-(4-chlorophenyl)sulfanylbutyl]-5,5-dimethylimidazolidine-2,4-dione?
The canonical SMILES for 3-[4-(4-chlorophenyl)sulfanylbutyl]-5,5-dimethylimidazolidine-2,4-dione is CC1(C)NC(=O)N(CCCCSc2ccc(Cl)cc2)C1=O.
What is the InChIKey of 3-[4-(4-chlorophenyl)sulfanylbutyl]-5,5-dimethylimidazolidine-2,4-dione?
The InChIKey is NZRDPGZJCGVICL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O2S/c1-15(2)13(19)18(14(20)17-15)9-3-4-10-21-12-7-5-11(16)6-8-12/h5-8H,3-4,9-10H2,1-2H3,(H,17,20).
What are the key properties of 3-[4-(4-chlorophenyl)sulfanylbutyl]-5,5-dimethylimidazolidine-2,4-dione?
3-[4-(4-chlorophenyl)sulfanylbutyl]-5,5-dimethylimidazolidine-2,4-dione has a molecular weight of 326.85 g/mol, XLogP of 3.54, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-chlorophenyl)sulfanylbutyl]-5,5-dimethylimidazolidine-2,4-dione is sourced from PubChem (CID 2215920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).