3-(3-chlorophenyl)-1-[(3,4-dimethoxyphenyl)methyl]-2-sulfanylideneimidazolidin-4-one

C18H17ClN2O3S — CID 4164982

IUPAC3-(3-chlorophenyl)-1-[(3,4-dimethoxyphenyl)methyl]-2-sulfanylideneimidazolidin-4-one
SMILESCOc1ccc(CN2CC(=O)N(c3cccc(Cl)c3)C2=S)cc1OC
InChIInChI=1S/C18H17ClN2O3S/c1-23-15-7-6-12(8-16(15)24-2)10-20-11-17(22)21(18(20)25)14-5-3-4-13(19)9-14/h3-9H,10-11H2,1-2H3
InChIKeyGBIDPAKKHUGIII-UHFFFAOYSA-N
MW376.87 g/mol
LogP3.49
Rot. Bonds5

About 3-(3-chlorophenyl)-1-[(3,4-dimethoxyphenyl)methyl]-2-sulfanylideneimidazolidin-4-one

3-(3-chlorophenyl)-1-[(3,4-dimethoxyphenyl)methyl]-2-sulfanylideneimidazolidin-4-one (PubChem CID 4164982) has the molecular formula C18H17ClN2O3S and a molecular weight of 376.87 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-1-[(3,4-dimethoxyphenyl)methyl]-2-sulfanylideneimidazolidin-4-one.

Molecular Properties

Compound Name3-(3-chlorophenyl)-1-[(3,4-dimethoxyphenyl)methyl]-2-sulfanylideneimidazolidin-4-one
PubChem CID4164982
Molecular FormulaC18H17ClN2O3S
Molecular Weight376.87 g/mol
Exact Mass376.06
IUPAC Name3-(3-chlorophenyl)-1-[(3,4-dimethoxyphenyl)methyl]-2-sulfanylideneimidazolidin-4-one
SMILESCOc1ccc(CN2CC(=O)N(c3cccc(Cl)c3)C2=S)cc1OC
InChIInChI=1S/C18H17ClN2O3S/c1-23-15-7-6-12(8-16(15)24-2)10-20-11-17(22)21(18(20)25)14-5-3-4-13(19)9-14/h3-9H,10-11H2,1-2H3
InChIKeyGBIDPAKKHUGIII-UHFFFAOYSA-N
XLogP3.49
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.87
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[(3,4-dimethoxyphenyl)methyl]-3-(4-ethylphenyl)-2-sulfanylideneimidazolidin-4-one
CID 3276658
3-(5-chloro-2-methylphenyl)-2-sulfanylidene-1-[(3,4,5-trimethoxyphenyl)methyl]imidazolidin-4-one
CID 4581172
3-(3-chlorophenyl)-1-methyl-2-sulfanylideneimidazolidin-4-one
CID 97455638
1-[4-(3-chlorophenyl)piperazin-1-yl]-2-(3,4-dimethoxyphenyl)ethanone
CID 1108344
2-[1-(3-chlorophenyl)-3-[(3,4-dimethoxyphenyl)methyl]-5-oxo-2-sulfanylideneimidazolidin-4-yl]-N-(4-methoxyphenyl)acetamide
CID 5079526
methyl 4-[[2-[1-(3-chlorophenyl)-3-[(3,4-dimethoxyphenyl)methyl]-5-oxo-2-sulfanylideneimidazolidin-4-yl]acetyl]amino]benzoate
CID 3421690
1-(3-chlorophenyl)-3-(3,4-dimethoxyphenyl)propan-2-one
CID 39433553
2-[1-(3-chlorophenyl)-3-[(3,4-dimethoxyphenyl)methyl]-5-oxo-2-sulfanylideneimidazolidin-4-yl]-N-(4-propoxyphenyl)acetamide
CID 3624406
1-[(3,4-dimethoxyphenyl)methyl]-3,4-dimethyl-2H-pyrrol-5-one
CID 141173385
2-[(3-chlorophenyl)methyl]-6,7-dimethoxy-3H-isoindol-1-one
CID 25197263
[1-(3-chlorophenyl)pyrazol-3-yl]-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]methanone
CID 55929086
3-(3-chlorophenyl)-1-[(4-chlorophenyl)methyl]-6,7-dimethoxy-4a,5,6,7,8,8a-hexahydroquinazoline-2,4-dione
CID 73374212

Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)-1-[(3,4-dimethoxyphenyl)methyl]-2-sulfanylideneimidazolidin-4-one?
The IUPAC name of 3-(3-chlorophenyl)-1-[(3,4-dimethoxyphenyl)methyl]-2-sulfanylideneimidazolidin-4-one (CID 4164982) is 3-(3-chlorophenyl)-1-[(3,4-dimethoxyphenyl)methyl]-2-sulfanylideneimidazolidin-4-one.
What is the SMILES notation for 3-(3-chlorophenyl)-1-[(3,4-dimethoxyphenyl)methyl]-2-sulfanylideneimidazolidin-4-one?
The canonical SMILES for 3-(3-chlorophenyl)-1-[(3,4-dimethoxyphenyl)methyl]-2-sulfanylideneimidazolidin-4-one is COc1ccc(CN2CC(=O)N(c3cccc(Cl)c3)C2=S)cc1OC.
What is the InChIKey of 3-(3-chlorophenyl)-1-[(3,4-dimethoxyphenyl)methyl]-2-sulfanylideneimidazolidin-4-one?
The InChIKey is GBIDPAKKHUGIII-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN2O3S/c1-23-15-7-6-12(8-16(15)24-2)10-20-11-17(22)21(18(20)25)14-5-3-4-13(19)9-14/h3-9H,10-11H2,1-2H3.
What are the key properties of 3-(3-chlorophenyl)-1-[(3,4-dimethoxyphenyl)methyl]-2-sulfanylideneimidazolidin-4-one?
3-(3-chlorophenyl)-1-[(3,4-dimethoxyphenyl)methyl]-2-sulfanylideneimidazolidin-4-one has a molecular weight of 376.87 g/mol, XLogP of 3.49, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)-1-[(3,4-dimethoxyphenyl)methyl]-2-sulfanylideneimidazolidin-4-one is sourced from PubChem (CID 4164982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).