3-(3,5-dimethylphenyl)-1-[(3-methylthiophen-2-yl)methyl]-2-sulfanylideneimidazolidin-4-one

C17H18N2OS2 — CID 4046918

IUPAC3-(3,5-dimethylphenyl)-1-[(3-methylthiophen-2-yl)methyl]-2-sulfanylideneimidazolidin-4-one
SMILESCc1cc(C)cc(N2C(=O)CN(Cc3sccc3C)C2=S)c1
InChIInChI=1S/C17H18N2OS2/c1-11-6-12(2)8-14(7-11)19-16(20)10-18(17(19)21)9-15-13(3)4-5-22-15/h4-8H,9-10H2,1-3H3
InChIKeyLVUVQLVBSGUGRL-UHFFFAOYSA-N
MW330.48 g/mol
LogP3.81
Rot. Bonds3

About 3-(3,5-dimethylphenyl)-1-[(3-methylthiophen-2-yl)methyl]-2-sulfanylideneimidazolidin-4-one

3-(3,5-dimethylphenyl)-1-[(3-methylthiophen-2-yl)methyl]-2-sulfanylideneimidazolidin-4-one (PubChem CID 4046918) has the molecular formula C17H18N2OS2 and a molecular weight of 330.48 g/mol. Its IUPAC name is 3-(3,5-dimethylphenyl)-1-[(3-methylthiophen-2-yl)methyl]-2-sulfanylideneimidazolidin-4-one.

Molecular Properties

Compound Name3-(3,5-dimethylphenyl)-1-[(3-methylthiophen-2-yl)methyl]-2-sulfanylideneimidazolidin-4-one
PubChem CID4046918
Molecular FormulaC17H18N2OS2
Molecular Weight330.48 g/mol
Exact Mass330.09
IUPAC Name3-(3,5-dimethylphenyl)-1-[(3-methylthiophen-2-yl)methyl]-2-sulfanylideneimidazolidin-4-one
SMILESCc1cc(C)cc(N2C(=O)CN(Cc3sccc3C)C2=S)c1
InChIInChI=1S/C17H18N2OS2/c1-11-6-12(2)8-14(7-11)19-16(20)10-18(17(19)21)9-15-13(3)4-5-22-15/h4-8H,9-10H2,1-3H3
InChIKeyLVUVQLVBSGUGRL-UHFFFAOYSA-N
XLogP3.81
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.48
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(4-Ethylphenyl)-1-[(3-methylthiophen-2-yl)methyl]-2-sulfanylideneimidazolidin-4-one
CID 4062129
3-(3-Methylphenyl)-1-(thien-2-ylmethyl)-2-thioxoimidazolidin-4-one
CID 4535712
3-(3,4-Dimethylphenyl)-1-(thien-2-ylmethyl)-2-thioxoimidazolidin-4-one
CID 4535713
(5E)-3-phenyl-5-(thien-3-ylmethylene)-2-thioxoimidazolidin-4-one
CID 16188811
3-(3,4-Dimethylphenyl)-1-[(3-methylthiophen-2-yl)methyl]-2-sulfanylideneimidazolidin-4-one
CID 4062130
3-(3-Methylphenyl)-1-[(3-methylthiophen-2-yl)methyl]-2-sulfanylideneimidazolidin-4-one
CID 4062304
N-(4-methylphenyl)-2-[(4E)-4-[(5-methylthiophen-2-yl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide
CID 7326464
2-(3-methylanilino)-1-(thiophen-2-ylmethyl)-4H-imidazol-5-one;hydrochloride
CID 16192702
1-Benzyl-3-(3,5-dimethylphenyl)-2-sulfanylideneimidazolidin-4-one
CID 4065113
3-(2,6-Dimethylphenyl)-1-[(3-methylthiophen-2-yl)methyl]-2-sulfanylideneimidazolidin-4-one
CID 4065118
3-(4-Ethylphenyl)-1-(thien-2-ylmethyl)-2-thioxoimidazolidin-4-one
CID 4535710
N-[2-(dimethylamino)ethyl]-N'-(3,5-dimethylphenyl)-N-(thien-2-ylmethyl)thiourea
CID 4600990

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethylphenyl)-1-[(3-methylthiophen-2-yl)methyl]-2-sulfanylideneimidazolidin-4-one?
The IUPAC name of 3-(3,5-dimethylphenyl)-1-[(3-methylthiophen-2-yl)methyl]-2-sulfanylideneimidazolidin-4-one (CID 4046918) is 3-(3,5-dimethylphenyl)-1-[(3-methylthiophen-2-yl)methyl]-2-sulfanylideneimidazolidin-4-one.
What is the SMILES notation for 3-(3,5-dimethylphenyl)-1-[(3-methylthiophen-2-yl)methyl]-2-sulfanylideneimidazolidin-4-one?
The canonical SMILES for 3-(3,5-dimethylphenyl)-1-[(3-methylthiophen-2-yl)methyl]-2-sulfanylideneimidazolidin-4-one is Cc1cc(C)cc(N2C(=O)CN(Cc3sccc3C)C2=S)c1.
What is the InChIKey of 3-(3,5-dimethylphenyl)-1-[(3-methylthiophen-2-yl)methyl]-2-sulfanylideneimidazolidin-4-one?
The InChIKey is LVUVQLVBSGUGRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2OS2/c1-11-6-12(2)8-14(7-11)19-16(20)10-18(17(19)21)9-15-13(3)4-5-22-15/h4-8H,9-10H2,1-3H3.
What are the key properties of 3-(3,5-dimethylphenyl)-1-[(3-methylthiophen-2-yl)methyl]-2-sulfanylideneimidazolidin-4-one?
3-(3,5-dimethylphenyl)-1-[(3-methylthiophen-2-yl)methyl]-2-sulfanylideneimidazolidin-4-one has a molecular weight of 330.48 g/mol, XLogP of 3.81, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethylphenyl)-1-[(3-methylthiophen-2-yl)methyl]-2-sulfanylideneimidazolidin-4-one is sourced from PubChem (CID 4046918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).