5-benzyl-3-(3-methylphenyl)-2-sulfanylideneimidazolidin-4-one

C17H16N2OS — CID 4130906

IUPAC5-benzyl-3-(3-methylphenyl)-2-sulfanylideneimidazolidin-4-one
SMILESCc1cccc(N2C(=O)C(Cc3ccccc3)NC2=S)c1
InChIInChI=1S/C17H16N2OS/c1-12-6-5-9-14(10-12)19-16(20)15(18-17(19)21)11-13-7-3-2-4-8-13/h2-10,15H,11H2,1H3,(H,18,21)
InChIKeyFKRHBJZLWSGREQ-UHFFFAOYSA-N
MW296.40 g/mol
LogP2.83
Rot. Bonds3

About 5-benzyl-3-(3-methylphenyl)-2-sulfanylideneimidazolidin-4-one

5-benzyl-3-(3-methylphenyl)-2-sulfanylideneimidazolidin-4-one (PubChem CID 4130906) has the molecular formula C17H16N2OS and a molecular weight of 296.40 g/mol. Its IUPAC name is 5-benzyl-3-(3-methylphenyl)-2-sulfanylideneimidazolidin-4-one.

Molecular Properties

Compound Name5-benzyl-3-(3-methylphenyl)-2-sulfanylideneimidazolidin-4-one
PubChem CID4130906
Molecular FormulaC17H16N2OS
Molecular Weight296.40 g/mol
Exact Mass296.10
IUPAC Name5-benzyl-3-(3-methylphenyl)-2-sulfanylideneimidazolidin-4-one
SMILESCc1cccc(N2C(=O)C(Cc3ccccc3)NC2=S)c1
InChIInChI=1S/C17H16N2OS/c1-12-6-5-9-14(10-12)19-16(20)15(18-17(19)21)11-13-7-3-2-4-8-13/h2-10,15H,11H2,1H3,(H,18,21)
InChIKeyFKRHBJZLWSGREQ-UHFFFAOYSA-N
XLogP2.83
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.40
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-(Benzylsulfanylmethyl)-3-phenyl-2-sulfanylideneimidazolidin-4-one
CID 2872315
(S)-1-(2-oxo-1-(2-oxo-2-(pyrrolidin-1-yl)ethyl)azepan-3-yl)-3-m-tolylthiourea
CID 25138134
N-(3-ethylphenyl)-6-(5-methyl-2-oxoimidazolidin-4-yl)hexanamide
CID 4916632
3-Benzoyl-1-phenyl-2-thioxo-imidazolidin-4-one
CID 810270
3-Phenyl-5-(phenylmethyl)-2-thioxo-4-imidazolidinone
CID 2871911
N-[(2,3-dimethylphenyl)carbamothioyl]-3-phenylpropanamide
CID 3606489
5-Methyl-3-phenyl-2-thioxoimidazolidin-4-one
CID 2872314
4-methyl-N,6-diphenyl-2-sulfanyl-1,6-dihydropyrimidine-5-carboxamide
CID 2828593
1,3,5-Triphenylimidazolidine-2,4-dione
CID 11609579
Pyrrolidine-1,2-dicarboxylic acid 2-(4-methyl-benzylamide) 1-p-tolylamide
CID 3221243
1-Benzyl-3-(3,4-dimethylphenyl)-2-sulfanylideneimidazolidin-4-one
CID 4064932
N-(3,5-dimethylphenyl)-2-[4-methyl-3-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 4879217

Frequently Asked Questions

What is the IUPAC name of 5-benzyl-3-(3-methylphenyl)-2-sulfanylideneimidazolidin-4-one?
The IUPAC name of 5-benzyl-3-(3-methylphenyl)-2-sulfanylideneimidazolidin-4-one (CID 4130906) is 5-benzyl-3-(3-methylphenyl)-2-sulfanylideneimidazolidin-4-one.
What is the SMILES notation for 5-benzyl-3-(3-methylphenyl)-2-sulfanylideneimidazolidin-4-one?
The canonical SMILES for 5-benzyl-3-(3-methylphenyl)-2-sulfanylideneimidazolidin-4-one is Cc1cccc(N2C(=O)C(Cc3ccccc3)NC2=S)c1.
What is the InChIKey of 5-benzyl-3-(3-methylphenyl)-2-sulfanylideneimidazolidin-4-one?
The InChIKey is FKRHBJZLWSGREQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2OS/c1-12-6-5-9-14(10-12)19-16(20)15(18-17(19)21)11-13-7-3-2-4-8-13/h2-10,15H,11H2,1H3,(H,18,21).
What are the key properties of 5-benzyl-3-(3-methylphenyl)-2-sulfanylideneimidazolidin-4-one?
5-benzyl-3-(3-methylphenyl)-2-sulfanylideneimidazolidin-4-one has a molecular weight of 296.40 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-3-(3-methylphenyl)-2-sulfanylideneimidazolidin-4-one is sourced from PubChem (CID 4130906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).