3-(4-methylphenyl)-2-sulfanylidene-1-[(3,4,5-trimethoxyphenyl)methyl]imidazolidin-4-one

C20H22N2O4S — CID 4168025

IUPAC3-(4-methylphenyl)-2-sulfanylidene-1-[(3,4,5-trimethoxyphenyl)methyl]imidazolidin-4-one
SMILESCOc1cc(CN2CC(=O)N(c3ccc(C)cc3)C2=S)cc(OC)c1OC
InChIInChI=1S/C20H22N2O4S/c1-13-5-7-15(8-6-13)22-18(23)12-21(20(22)27)11-14-9-16(24-2)19(26-4)17(10-14)25-3/h5-10H,11-12H2,1-4H3
InChIKeyYVHHBUDMSIKEBT-UHFFFAOYSA-N
MW386.47 g/mol
LogP3.15
Rot. Bonds6

About 3-(4-methylphenyl)-2-sulfanylidene-1-[(3,4,5-trimethoxyphenyl)methyl]imidazolidin-4-one

3-(4-methylphenyl)-2-sulfanylidene-1-[(3,4,5-trimethoxyphenyl)methyl]imidazolidin-4-one (PubChem CID 4168025) has the molecular formula C20H22N2O4S and a molecular weight of 386.47 g/mol. Its IUPAC name is 3-(4-methylphenyl)-2-sulfanylidene-1-[(3,4,5-trimethoxyphenyl)methyl]imidazolidin-4-one.

Molecular Properties

Compound Name3-(4-methylphenyl)-2-sulfanylidene-1-[(3,4,5-trimethoxyphenyl)methyl]imidazolidin-4-one
PubChem CID4168025
Molecular FormulaC20H22N2O4S
Molecular Weight386.47 g/mol
Exact Mass386.13
IUPAC Name3-(4-methylphenyl)-2-sulfanylidene-1-[(3,4,5-trimethoxyphenyl)methyl]imidazolidin-4-one
SMILESCOc1cc(CN2CC(=O)N(c3ccc(C)cc3)C2=S)cc(OC)c1OC
InChIInChI=1S/C20H22N2O4S/c1-13-5-7-15(8-6-13)22-18(23)12-21(20(22)27)11-14-9-16(24-2)19(26-4)17(10-14)25-3/h5-10H,11-12H2,1-4H3
InChIKeyYVHHBUDMSIKEBT-UHFFFAOYSA-N
XLogP3.15
TPSA51.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.47
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(3-(3,4-Dimethoxyphenethyl)-5-oxo-1-phenyl-2-thioxoimidazolidin-4-yl)acetic acid
CID 16394802
1,3-Diphenyl-2-(3,4,5-trimethoxyphenyl)imidazolidine
CID 292557
2-[3-(3,4-dimethoxybenzyl)-1-ethyl-5-oxo-2-thioxoimidazolidin-4-yl]-N-(4-methoxyphenyl)acetamide
CID 3703260
3-(4-Methylphenyl)-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one
CID 15854269
1-Acetyl-4-(4-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)imidazol-2-one
CID 44455890
1-(3,4-Dimethylphenyl)-3-methyl-5-(3,4,5-trimethoxyphenyl)imidazolidine-2,4-dione
CID 141536689
1-(3,4-Dimethylphenyl)-5-(3,4,5-trimethoxyphenyl)imidazolidine-2,4-dione
CID 141536693
1-(3-Amino-4-methylphenyl)-5-(3,4,5-trimethoxyphenyl)imidazolidine-2,4-dione
CID 141536695
1-(3-Fluoro-4-methoxyphenyl)-3-methyl-5-(3,4,5-trimethoxyphenyl)imidazolidine-2,4-dione
CID 141536710
1-(3-Amino-4-methylphenyl)-3-methyl-5-(3,4,5-trimethoxyphenyl)imidazolidine-2,4-dione
CID 141536721
3,4,5-trimethoxy-N-({[4-(1-pyrrolidinyl)phenyl]amino}carbonothioyl)benzamide
CID 1345163
3,4,5-trimethoxy-N-{[2-(pyrrolidin-1-yl)phenyl]carbamothioyl}benzamide
CID 1954801

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylphenyl)-2-sulfanylidene-1-[(3,4,5-trimethoxyphenyl)methyl]imidazolidin-4-one?
The IUPAC name of 3-(4-methylphenyl)-2-sulfanylidene-1-[(3,4,5-trimethoxyphenyl)methyl]imidazolidin-4-one (CID 4168025) is 3-(4-methylphenyl)-2-sulfanylidene-1-[(3,4,5-trimethoxyphenyl)methyl]imidazolidin-4-one.
What is the SMILES notation for 3-(4-methylphenyl)-2-sulfanylidene-1-[(3,4,5-trimethoxyphenyl)methyl]imidazolidin-4-one?
The canonical SMILES for 3-(4-methylphenyl)-2-sulfanylidene-1-[(3,4,5-trimethoxyphenyl)methyl]imidazolidin-4-one is COc1cc(CN2CC(=O)N(c3ccc(C)cc3)C2=S)cc(OC)c1OC.
What is the InChIKey of 3-(4-methylphenyl)-2-sulfanylidene-1-[(3,4,5-trimethoxyphenyl)methyl]imidazolidin-4-one?
The InChIKey is YVHHBUDMSIKEBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O4S/c1-13-5-7-15(8-6-13)22-18(23)12-21(20(22)27)11-14-9-16(24-2)19(26-4)17(10-14)25-3/h5-10H,11-12H2,1-4H3.
What are the key properties of 3-(4-methylphenyl)-2-sulfanylidene-1-[(3,4,5-trimethoxyphenyl)methyl]imidazolidin-4-one?
3-(4-methylphenyl)-2-sulfanylidene-1-[(3,4,5-trimethoxyphenyl)methyl]imidazolidin-4-one has a molecular weight of 386.47 g/mol, XLogP of 3.15, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylphenyl)-2-sulfanylidene-1-[(3,4,5-trimethoxyphenyl)methyl]imidazolidin-4-one is sourced from PubChem (CID 4168025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).