1-(3-methyl-4-phenoxyphenyl)-3-prop-2-enyl-2-sulfanylideneimidazolidin-4-one

C19H18N2O2S — CID 87951783

IUPAC1-(3-methyl-4-phenoxyphenyl)-3-prop-2-enyl-2-sulfanylideneimidazolidin-4-one
SMILESC=CCN1C(=O)CN(c2ccc(Oc3ccccc3)c(C)c2)C1=S
InChIInChI=1S/C19H18N2O2S/c1-3-11-20-18(22)13-21(19(20)24)15-9-10-17(14(2)12-15)23-16-7-5-4-6-8-16/h3-10,12H,1,11,13H2,2H3
InChIKeyWGXBLAFOAHVPJB-UHFFFAOYSA-N
MW338.43 g/mol
LogP3.91
Rot. Bonds5

About 1-(3-methyl-4-phenoxyphenyl)-3-prop-2-enyl-2-sulfanylideneimidazolidin-4-one

1-(3-methyl-4-phenoxyphenyl)-3-prop-2-enyl-2-sulfanylideneimidazolidin-4-one (PubChem CID 87951783) has the molecular formula C19H18N2O2S and a molecular weight of 338.43 g/mol. Its IUPAC name is 1-(3-methyl-4-phenoxyphenyl)-3-prop-2-enyl-2-sulfanylideneimidazolidin-4-one.

Molecular Properties

Compound Name1-(3-methyl-4-phenoxyphenyl)-3-prop-2-enyl-2-sulfanylideneimidazolidin-4-one
PubChem CID87951783
Molecular FormulaC19H18N2O2S
Molecular Weight338.43 g/mol
Exact Mass338.11
IUPAC Name1-(3-methyl-4-phenoxyphenyl)-3-prop-2-enyl-2-sulfanylideneimidazolidin-4-one
SMILESC=CCN1C(=O)CN(c2ccc(Oc3ccccc3)c(C)c2)C1=S
InChIInChI=1S/C19H18N2O2S/c1-3-11-20-18(22)13-21(19(20)24)15-9-10-17(14(2)12-15)23-16-7-5-4-6-8-16/h3-10,12H,1,11,13H2,2H3
InChIKeyWGXBLAFOAHVPJB-UHFFFAOYSA-N
XLogP3.91
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.43
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(3-methoxyphenyl)-3-prop-2-enyl-2-sulfanylideneimidazolidin-4-one
CID 91972530
1-(3-methoxyphenyl)-3-(3-methyl-4-phenoxyphenyl)-1,3,5-triazinane-2,4,6-trione
CID 139434096
4-hydroxy-1-[4-(2-methylphenoxy)phenyl]pyrrolidin-2-one
CID 168702567
[6-(3-methyl-4-phenoxybenzoyl)naphthalen-2-yl]-(3-methyl-4-phenoxyphenyl)methanone
CID 23054764
N,3-dimethyl-4-phenoxyaniline
CID 143188330
3-(4-methoxyphenyl)-1-phenyl-2-sulfanylideneimidazolidin-4-one
CID 682116
1-(4-benzylphenyl)-5-methyl-3-prop-2-enyl-2-sulfanylideneimidazolidin-4-one
CID 10337100
(5Z)-5-[[3-[2-(2,4-dimethylphenoxy)ethoxy]phenyl]methylidene]-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-4-one
CID 2278521
5-[(3,4-dimethoxyphenyl)methylidene]-1-(4-methylphenyl)-3-prop-2-enyl-2-sulfanylideneimidazolidin-4-one
CID 3407332
ethane;1-methyl-2-phenoxybenzene
CID 90950955
1-[4-(2-methylphenoxy)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 168696853
4-benzyl-1-(3-methyl-4-phenylmethoxyphenyl)piperazine-2,6-dione
CID 54410983

Frequently Asked Questions

What is the IUPAC name of 1-(3-methyl-4-phenoxyphenyl)-3-prop-2-enyl-2-sulfanylideneimidazolidin-4-one?
The IUPAC name of 1-(3-methyl-4-phenoxyphenyl)-3-prop-2-enyl-2-sulfanylideneimidazolidin-4-one (CID 87951783) is 1-(3-methyl-4-phenoxyphenyl)-3-prop-2-enyl-2-sulfanylideneimidazolidin-4-one.
What is the SMILES notation for 1-(3-methyl-4-phenoxyphenyl)-3-prop-2-enyl-2-sulfanylideneimidazolidin-4-one?
The canonical SMILES for 1-(3-methyl-4-phenoxyphenyl)-3-prop-2-enyl-2-sulfanylideneimidazolidin-4-one is C=CCN1C(=O)CN(c2ccc(Oc3ccccc3)c(C)c2)C1=S.
What is the InChIKey of 1-(3-methyl-4-phenoxyphenyl)-3-prop-2-enyl-2-sulfanylideneimidazolidin-4-one?
The InChIKey is WGXBLAFOAHVPJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O2S/c1-3-11-20-18(22)13-21(19(20)24)15-9-10-17(14(2)12-15)23-16-7-5-4-6-8-16/h3-10,12H,1,11,13H2,2H3.
What are the key properties of 1-(3-methyl-4-phenoxyphenyl)-3-prop-2-enyl-2-sulfanylideneimidazolidin-4-one?
1-(3-methyl-4-phenoxyphenyl)-3-prop-2-enyl-2-sulfanylideneimidazolidin-4-one has a molecular weight of 338.43 g/mol, XLogP of 3.91, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methyl-4-phenoxyphenyl)-3-prop-2-enyl-2-sulfanylideneimidazolidin-4-one is sourced from PubChem (CID 87951783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).