1-(4-benzylphenyl)-5-methyl-3-prop-2-enyl-2-sulfanylideneimidazolidin-4-one

C20H20N2OS — CID 10337100

IUPAC1-(4-benzylphenyl)-5-methyl-3-prop-2-enyl-2-sulfanylideneimidazolidin-4-one
SMILESC=CCN1C(=O)C(C)N(c2ccc(Cc3ccccc3)cc2)C1=S
InChIInChI=1S/C20H20N2OS/c1-3-13-21-19(23)15(2)22(20(21)24)18-11-9-17(10-12-18)14-16-7-5-4-6-8-16/h3-12,15H,1,13-14H2,2H3
InChIKeyJZPBGXABBIJEKU-UHFFFAOYSA-N
MW336.46 g/mol
LogP3.79
Rot. Bonds5

About 1-(4-benzylphenyl)-5-methyl-3-prop-2-enyl-2-sulfanylideneimidazolidin-4-one

1-(4-benzylphenyl)-5-methyl-3-prop-2-enyl-2-sulfanylideneimidazolidin-4-one (PubChem CID 10337100) has the molecular formula C20H20N2OS and a molecular weight of 336.46 g/mol. Its IUPAC name is 1-(4-benzylphenyl)-5-methyl-3-prop-2-enyl-2-sulfanylideneimidazolidin-4-one.

Molecular Properties

Compound Name1-(4-benzylphenyl)-5-methyl-3-prop-2-enyl-2-sulfanylideneimidazolidin-4-one
PubChem CID10337100
Molecular FormulaC20H20N2OS
Molecular Weight336.46 g/mol
Exact Mass336.13
IUPAC Name1-(4-benzylphenyl)-5-methyl-3-prop-2-enyl-2-sulfanylideneimidazolidin-4-one
SMILESC=CCN1C(=O)C(C)N(c2ccc(Cc3ccccc3)cc2)C1=S
InChIInChI=1S/C20H20N2OS/c1-3-13-21-19(23)15(2)22(20(21)24)18-11-9-17(10-12-18)14-16-7-5-4-6-8-16/h3-12,15H,1,13-14H2,2H3
InChIKeyJZPBGXABBIJEKU-UHFFFAOYSA-N
XLogP3.79
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.46
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(4-benzylphenyl)-5-methyl-3-prop-2-enyl-2-sulfanylideneimidazolidin-4-one?
The IUPAC name of 1-(4-benzylphenyl)-5-methyl-3-prop-2-enyl-2-sulfanylideneimidazolidin-4-one (CID 10337100) is 1-(4-benzylphenyl)-5-methyl-3-prop-2-enyl-2-sulfanylideneimidazolidin-4-one.
What is the SMILES notation for 1-(4-benzylphenyl)-5-methyl-3-prop-2-enyl-2-sulfanylideneimidazolidin-4-one?
The canonical SMILES for 1-(4-benzylphenyl)-5-methyl-3-prop-2-enyl-2-sulfanylideneimidazolidin-4-one is C=CCN1C(=O)C(C)N(c2ccc(Cc3ccccc3)cc2)C1=S.
What is the InChIKey of 1-(4-benzylphenyl)-5-methyl-3-prop-2-enyl-2-sulfanylideneimidazolidin-4-one?
The InChIKey is JZPBGXABBIJEKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2OS/c1-3-13-21-19(23)15(2)22(20(21)24)18-11-9-17(10-12-18)14-16-7-5-4-6-8-16/h3-12,15H,1,13-14H2,2H3.
What are the key properties of 1-(4-benzylphenyl)-5-methyl-3-prop-2-enyl-2-sulfanylideneimidazolidin-4-one?
1-(4-benzylphenyl)-5-methyl-3-prop-2-enyl-2-sulfanylideneimidazolidin-4-one has a molecular weight of 336.46 g/mol, XLogP of 3.79, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-benzylphenyl)-5-methyl-3-prop-2-enyl-2-sulfanylideneimidazolidin-4-one is sourced from PubChem (CID 10337100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).